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

C9H12N4O2S2 — CID 51108618

IUPAC1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cn(C)c(C)n2)s1
InChIInChI=1S/C9H12N4O2S2/c1-6-4-10-9(16-6)12-17(14,15)8-5-13(3)7(2)11-8/h4-5H,1-3H3,(H,10,12)
InChIKeyBPFRTNVHKXCYFV-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.29
Rot. Bonds3

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

1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide (PubChem CID 51108618) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
PubChem CID51108618
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC Name1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cn(C)c(C)n2)s1
InChIInChI=1S/C9H12N4O2S2/c1-6-4-10-9(16-6)12-17(14,15)8-5-13(3)7(2)11-8/h4-5H,1-3H3,(H,10,12)
InChIKeyBPFRTNVHKXCYFV-UHFFFAOYSA-N
XLogP1.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide (CID 51108618) is 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide is Cc1cnc(NS(=O)(=O)c2cn(C)c(C)n2)s1.
What is the InChIKey of 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The InChIKey is BPFRTNVHKXCYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-6-4-10-9(16-6)12-17(14,15)8-5-13(3)7(2)11-8/h4-5H,1-3H3,(H,10,12).
What are the key properties of 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide has a molecular weight of 272.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 51108618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).