N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C12H11N3O4S2 — CID 110756975

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)sc1C
InChIInChI=1S/C12H11N3O4S2/c1-6-7(2)20-11(13-6)15-21(17,18)8-3-4-9-10(5-8)19-12(16)14-9/h3-5H,1-2H3,(H,13,15)(H,14,16)
InChIKeyJJEMFKNYEJNURG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110756975) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110756975
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)sc1C
InChIInChI=1S/C12H11N3O4S2/c1-6-7(2)20-11(13-6)15-21(17,18)8-3-4-9-10(5-8)19-12(16)14-9/h3-5H,1-2H3,(H,13,15)(H,14,16)
InChIKeyJJEMFKNYEJNURG-UHFFFAOYSA-N
XLogP2.00
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84563272
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783079
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110756980
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
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110756975) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is Cc1nc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is JJEMFKNYEJNURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c1-6-7(2)20-11(13-6)15-21(17,18)8-3-4-9-10(5-8)19-12(16)14-9/h3-5H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 325.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).