N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide

C14H16N4O2S2 — CID 110760475

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc3c(c2)nc(C)n3C)sc1C
InChIInChI=1S/C14H16N4O2S2/c1-8-9(2)21-14(15-8)17-22(19,20)11-5-6-13-12(7-11)16-10(3)18(13)4/h5-7H,1-4H3,(H,15,17)
InChIKeySDJNERFSCNZEGZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide (PubChem CID 110760475) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
PubChem CID110760475
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc3c(c2)nc(C)n3C)sc1C
InChIInChI=1S/C14H16N4O2S2/c1-8-9(2)21-14(15-8)17-22(19,20)11-5-6-13-12(7-11)16-10(3)18(13)4/h5-7H,1-4H3,(H,15,17)
InChIKeySDJNERFSCNZEGZ-UHFFFAOYSA-N
XLogP2.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110756980
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760458
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide (CID 110760475) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide is Cc1nc(NS(=O)(=O)c2ccc3c(c2)nc(C)n3C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is SDJNERFSCNZEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-8-9(2)21-14(15-8)17-22(19,20)11-5-6-13-12(7-11)16-10(3)18(13)4/h5-7H,1-4H3,(H,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 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)-1,2-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).