N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide

C19H13N5O3S — CID 108811644

About N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide

N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide (PubChem CID 108811644) has the molecular formula C19H13N5O3S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide
• PubChem CID: 108811644
• Molecular Formula: C19H13N5O3S
• Molecular Weight: 391.41 g/mol
• Exact Mass: 391.07
• IUPAC Name: N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide
• SMILES: COc1ccc(-c2csc3nc(NC(=O)c4ccc5ocnc5c4)nn23)cc1
• InChI: InChI=1S/C19H13N5O3S/c1-26-13-5-2-11(3-6-13)15-9-28-19-22-18(23-24(15)19)21-17(25)12-4-7-16-14(8-12)20-10-27-16/h2-10H,1H3,(H,21,23,25)
• InChIKey: JTAMIEVQEGMHNT-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.41
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide?

The IUPAC name of N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide (CID 108811644) is N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide.

What is the SMILES notation for N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide?

The canonical SMILES for N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide is COc1ccc(-c2csc3nc(NC(=O)c4ccc5ocnc5c4)nn23)cc1.

What is the InChIKey of N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide?

The InChIKey is JTAMIEVQEGMHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3S/c1-26-13-5-2-11(3-6-13)15-9-28-19-22-18(23-24(15)19)21-17(25)12-4-7-16-14(8-12)20-10-27-16/h2-10H,1H3,(H,21,23,25).

What are the key properties of N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide?

N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108811644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).