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

C17H20N4O3S2 — CID 121415899

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide
SMILESCc1nc(C)c(Cn2c(=O)[nH]c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C17H20N4O3S2/c1-10-15(25-11(2)18-10)9-21-14-5-4-12(8-13(14)19-16(21)22)26(23,24)20-17(3)6-7-17/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,22)
InChIKeyUVHSGGGECVTWDY-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.28
Rot. Bonds5

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

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide (PubChem CID 121415899) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide
PubChem CID121415899
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide
SMILESCc1nc(C)c(Cn2c(=O)[nH]c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C17H20N4O3S2/c1-10-15(25-11(2)18-10)9-21-14-5-4-12(8-13(14)19-16(21)22)26(23,24)20-17(3)6-7-17/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,22)
InChIKeyUVHSGGGECVTWDY-UHFFFAOYSA-N
XLogP2.28
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide (CID 121415899) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide is Cc1nc(C)c(Cn2c(=O)[nH]c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide?
The InChIKey is UVHSGGGECVTWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-10-15(25-11(2)18-10)9-21-14-5-4-12(8-13(14)19-16(21)22)26(23,24)20-17(3)6-7-17/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,22).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide has a molecular weight of 392.51 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 121415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).