tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C19H23N5O3S — CID 108763044

About tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 108763044) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 108763044
• Molecular Formula: C19H23N5O3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.15
• IUPAC Name: tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: Cc1csc2nc(NC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)nn12
• InChI: InChI=1S/C19H23N5O3S/c1-12-11-28-17-22-16(23-24(12)17)21-15(25)14(10-13-8-6-5-7-9-13)20-18(26)27-19(2,3)4/h5-9,11,14H,10H2,1-4H3,(H,20,26)(H,21,23,25)
• InChIKey: GHAACBZMAQOIQP-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 108763044) is tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is Cc1csc2nc(NC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)nn12.

What is the InChIKey of tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is GHAACBZMAQOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-12-11-28-17-22-16(23-24(12)17)21-15(25)14(10-13-8-6-5-7-9-13)20-18(26)27-19(2,3)4/h5-9,11,14H,10H2,1-4H3,(H,20,26)(H,21,23,25).

What are the key properties of tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 401.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 108763044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).