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

C8H9ClN4O2S2 — CID 43415316

IUPAC5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ncn(C)c2Cl)s1
InChIInChI=1S/C8H9ClN4O2S2/c1-5-3-10-8(16-5)12-17(14,15)7-6(9)13(2)4-11-7/h3-4H,1-2H3,(H,10,12)
InChIKeyKBQYQURWVGAOOX-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.64
Rot. Bonds3

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

5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide (PubChem CID 43415316) has the molecular formula C8H9ClN4O2S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
PubChem CID43415316
Molecular FormulaC8H9ClN4O2S2
Molecular Weight292.77 g/mol
Exact Mass291.99
IUPAC Name5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ncn(C)c2Cl)s1
InChIInChI=1S/C8H9ClN4O2S2/c1-5-3-10-8(16-5)12-17(14,15)7-6(9)13(2)4-11-7/h3-4H,1-2H3,(H,10,12)
InChIKeyKBQYQURWVGAOOX-UHFFFAOYSA-N
XLogP1.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide (CID 43415316) is 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide is Cc1cnc(NS(=O)(=O)c2ncn(C)c2Cl)s1.
What is the InChIKey of 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The InChIKey is KBQYQURWVGAOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S2/c1-5-3-10-8(16-5)12-17(14,15)7-6(9)13(2)4-11-7/h3-4H,1-2H3,(H,10,12).
What are the key properties of 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 43415316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).