2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

C11H10N4O3S2 — CID 49458352

IUPAC2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3cscn3)cc2[nH]1
InChIInChI=1S/C11H10N4O3S2/c16-11-14-9-2-1-8(3-10(9)15-11)20(17,18)13-4-7-5-19-6-12-7/h1-3,5-6,13H,4H2,(H2,14,15,16)
InChIKeyIMNYFRDGUQAHQL-UHFFFAOYSA-N
MW310.36 g/mol
LogP0.79
Rot. Bonds4

About 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 49458352) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID49458352
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC Name2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3cscn3)cc2[nH]1
InChIInChI=1S/C11H10N4O3S2/c16-11-14-9-2-1-8(3-10(9)15-11)20(17,18)13-4-7-5-19-6-12-7/h1-3,5-6,13H,4H2,(H2,14,15,16)
InChIKeyIMNYFRDGUQAHQL-UHFFFAOYSA-N
XLogP0.79
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739187
2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110873987
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
3-chloro-4-(ethylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107091503
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 82847839
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 49458352) is 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3cscn3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is IMNYFRDGUQAHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c16-11-14-9-2-1-8(3-10(9)15-11)20(17,18)13-4-7-5-19-6-12-7/h1-3,5-6,13H,4H2,(H2,14,15,16).
What are the key properties of 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 310.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 49458352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).