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

C15H10N4O4S2 — CID 108783493

IUPAC2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc2o1
InChIInChI=1S/C15H10N4O4S2/c20-15-18-11-5-4-9(7-13(11)23-15)25(21,22)19-14-17-12(8-24-14)10-3-1-2-6-16-10/h1-8H,(H,17,19)(H,18,20)
InChIKeyVUQDBMLEWZFBKR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.44
Rot. Bonds4

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

2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108783493) has the molecular formula C15H10N4O4S2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108783493
Molecular FormulaC15H10N4O4S2
Molecular Weight374.40 g/mol
Exact Mass374.01
IUPAC Name2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc2o1
InChIInChI=1S/C15H10N4O4S2/c20-15-18-11-5-4-9(7-13(11)23-15)25(21,22)19-14-17-12(8-24-14)10-3-1-2-6-16-10/h1-8H,(H,17,19)(H,18,20)
InChIKeyVUQDBMLEWZFBKR-UHFFFAOYSA-N
XLogP2.44
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110317990
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783079
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 108784276
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
N-[6-[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781120
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75403048
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108781485
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide (CID 108783493) is 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc2o1.
What is the InChIKey of 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is VUQDBMLEWZFBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4S2/c20-15-18-11-5-4-9(7-13(11)23-15)25(21,22)19-14-17-12(8-24-14)10-3-1-2-6-16-10/h1-8H,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 374.40 g/mol, XLogP of 2.44, 4 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)-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108783493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).