Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate

• CAS: 96929-05-4
• Catalog Number: ACM96929054
• Category: Other Products
• Molecular Weight: 286.35
• Molecular Formula: C₁₂H₁₈N₂O₄S
• Synonyms: tert-butyl (4-(ethoxycarbonyl)thiazol-2-yl)methylcarbamate;Ethyl 2-(Boc-aminomethyl)thiazole-4-carboxylate;Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate
• IUPAC Name: ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)C1=CSC(=N1)CNC(=O)OC(C)(C)C
• InChI Key: IIBLNWWFRAOZDR-UHFFFAOYSA-N
• Boiling Point: 401.377ºC at 760 mmHg
• Density: 1.205 g/cm³
• Exact Mass: 286.09900
• H-Bond Acceptor: 6
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The molecular formula is C12H18N2O4S.

What is the molecular weight of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The molecular weight is 286.35 g/mol.

What is the IUPAC name of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The IUPAC name is ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate.

What is the InChI of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The InChI is InChI=1S/C12H18N2O4S/c1-5-17-10(15)8-7-19-9(14-8)6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16).

What is the InChIKey of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The InChIKey is IIBLNWWFRAOZDR-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The canonical SMILES is CCOC(=O)C1=CSC(=N1)CNC(=O)OC(C)(C)C.

What is the CAS number of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The CAS number is 96929-05-4.

What is the XLogP3-AA value of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The XLogP3-AA value is 2.

What is the hydrogen bond donor count of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The hydrogen bond donor count is 1.

What is the hydrogen bond acceptor count of Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate?

The hydrogen bond acceptor count is 6.