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

C13H14N4O3S2 — CID 110739430

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C13H14N4O3S2/c1-8-7-14-12(21-8)4-5-15-22(19,20)9-2-3-10-11(6-9)17-13(18)16-10/h2-3,6-7,15H,4-5H2,1H3,(H2,16,17,18)
InChIKeyYSOVSLKODLJDEF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.14
Rot. Bonds5

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

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110739430) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110739430
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C13H14N4O3S2/c1-8-7-14-12(21-8)4-5-15-22(19,20)9-2-3-10-11(6-9)17-13(18)16-10/h2-3,6-7,15H,4-5H2,1H3,(H2,16,17,18)
InChIKeyYSOVSLKODLJDEF-UHFFFAOYSA-N
XLogP1.14
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

US10508086, Example 111
CID 121415966
US10508086, Example 97
CID 121415976
US10508086, Example 113
CID 121415980
US10508086, Example 83
CID 135204808
US10508086, Example 107
CID 135205600
US10508086, Example 74
CID 121415846
US10508086, Example 89
CID 121415899
US10508086, Example 53
CID 135205303
US10508086, Example 65
CID 135205804
N-propyl-4-[({[2-(1,3-thiazol-2-yl)ethyl]amino}carbonyl)amino]benzenesulfonamide
CID 72860832
1-Ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one
CID 115596511
6-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-one
CID 110491156

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110739430) is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1cnc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is YSOVSLKODLJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-8-7-14-12(21-8)4-5-15-22(19,20)9-2-3-10-11(6-9)17-13(18)16-10/h2-3,6-7,15H,4-5H2,1H3,(H2,16,17,18).
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110739430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).