N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide

C19H20N6O3S3 — CID 135204808

IUPACN-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ncc(Cn2c(=O)n(-c3nnc(C)s3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3
InChIKeyDEJDCURLUNVOQT-UHFFFAOYSA-N
MW476.61 g/mol
LogP2.60
Rot. Bonds6

About N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide

N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide (PubChem CID 135204808) has the molecular formula C19H20N6O3S3 and a molecular weight of 476.61 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
PubChem CID135204808
Molecular FormulaC19H20N6O3S3
Molecular Weight476.61 g/mol
Exact Mass476.08
IUPAC NameN-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ncc(Cn2c(=O)n(-c3nnc(C)s3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3
InChIKeyDEJDCURLUNVOQT-UHFFFAOYSA-N
XLogP2.60
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide (CID 135204808) is N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide is Cc1ncc(Cn2c(=O)n(-c3nnc(C)s3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1.
What is the InChIKey of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is DEJDCURLUNVOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3.
What are the key properties of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 476.61 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 135204808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).