N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C13H14N4O3S2 — CID 110739187

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)sc1C
InChIInChI=1S/C13H14N4O3S2/c1-7-8(2)21-12(15-7)6-14-22(19,20)9-3-4-10-11(5-9)17-13(18)16-10/h3-5,14H,6H2,1-2H3,(H2,16,17,18)
InChIKeyYUFQIOSGWLRVPW-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.41
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110739187) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110739187
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)sc1C
InChIInChI=1S/C13H14N4O3S2/c1-7-8(2)21-12(15-7)6-14-22(19,20)9-3-4-10-11(5-9)17-13(18)16-10/h3-5,14H,6H2,1-2H3,(H2,16,17,18)
InChIKeyYUFQIOSGWLRVPW-UHFFFAOYSA-N
XLogP1.41
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739430
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110672585
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446031
2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110873987
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 126786263
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110716726

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110739187) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is YUFQIOSGWLRVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-7-8(2)21-12(15-7)6-14-22(19,20)9-3-4-10-11(5-9)17-13(18)16-10/h3-5,14H,6H2,1-2H3,(H2,16,17,18).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110739187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).