1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide

C20H29N5O3S3 — CID 135215660

IUPAC1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide
SMILESCC1NC(C)C(Cn2c(=O)n(C3NCCS3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)S1
InChIInChI=1S/C20H29N5O3S3/c1-12-17(30-13(2)22-12)11-24-15-5-4-14(31(27,28)23-20(3)6-7-20)10-16(15)25(19(24)26)18-21-8-9-29-18/h4-5,10,12-13,17-18,21-23H,6-9,11H2,1-3H3
InChIKeyGMNGSGXXYCHXQD-UHFFFAOYSA-N
MW483.69 g/mol
LogP1.87
Rot. Bonds6

About 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide

1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide (PubChem CID 135215660) has the molecular formula C20H29N5O3S3 and a molecular weight of 483.69 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide
PubChem CID135215660
Molecular FormulaC20H29N5O3S3
Molecular Weight483.69 g/mol
Exact Mass483.14
IUPAC Name1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide
SMILESCC1NC(C)C(Cn2c(=O)n(C3NCCS3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)S1
InChIInChI=1S/C20H29N5O3S3/c1-12-17(30-13(2)22-12)11-24-15-5-4-14(31(27,28)23-20(3)6-7-20)10-16(15)25(19(24)26)18-21-8-9-29-18/h4-5,10,12-13,17-18,21-23H,6-9,11H2,1-3H3
InChIKeyGMNGSGXXYCHXQD-UHFFFAOYSA-N
XLogP1.87
TPSA97.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.69
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)-3a,4,5,6,7,7a-hexahydrobenzimidazole-5-sulfonamide
CID 140884723
1-ethyl-N-[1-(fluoromethyl)cyclopropyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide
CID 135215739
1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide
CID 163735704
3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazolidin-5-yl]propanoic acid
CID 146630166
1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide
CID 135215684
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
1-(2-cyclopropylethyl)-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415781
3-[5-(difluoromethyl)-1,3,4-thiadiazolidin-2-yl]-1-ethyl-6-fluoro-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 135215742
3-ethyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398359
3-[(2S,3R)-1-cyano-2-methylazetidin-3-yl]-1-(cyclopropylmethyl)-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187496
1-[(3,3-dimethylcyclobutyl)methyl]-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398868
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide (CID 135215660) is 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide is CC1NC(C)C(Cn2c(=O)n(C3NCCS3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)S1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide?
The InChIKey is GMNGSGXXYCHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S3/c1-12-17(30-13(2)22-12)11-24-15-5-4-14(31(27,28)23-20(3)6-7-20)10-16(15)25(19(24)26)18-21-8-9-29-18/h4-5,10,12-13,17-18,21-23H,6-9,11H2,1-3H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide?
1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide has a molecular weight of 483.69 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazolidin-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazolidin-2-yl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 135215660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).