2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide

C16H12N4O4S2 — CID 110317990

About 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110317990) has the molecular formula C16H12N4O4S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110317990
• Molecular Formula: C16H12N4O4S2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.03
• IUPAC Name: 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: O=c1[nH]c2ccc(S(=O)(=O)NCc3nc(-c4ccccn4)cs3)cc2o1
• InChI: InChI=1S/C16H12N4O4S2/c21-16-20-12-5-4-10(7-14(12)24-16)26(22,23)18-8-15-19-13(9-25-15)11-3-1-2-6-17-11/h1-7,9,18H,8H2,(H,20,21)
• InChIKey: YYVHBODGDOAHRG-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 110317990) is 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3nc(-c4ccccn4)cs3)cc2o1.

What is the InChIKey of 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide?

The InChIKey is YYVHBODGDOAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S2/c21-16-20-12-5-4-10(7-14(12)24-16)26(22,23)18-8-15-19-13(9-25-15)11-3-1-2-6-17-11/h1-7,9,18H,8H2,(H,20,21).

What are the key properties of 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide?

2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 388.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110317990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).