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

C9H12N4O2S2 — CID 62998511

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nc(C)c(C)s2)[nH]1
InChIInChI=1S/C9H12N4O2S2/c1-5-6(2)16-9(11-5)13-17(14,15)8-4-10-7(3)12-8/h4H,1-3H3,(H,10,12)(H,11,13)
InChIKeyJFEFEVXCFTWYII-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 62998511) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID62998511
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nc(C)c(C)s2)[nH]1
InChIInChI=1S/C9H12N4O2S2/c1-5-6(2)16-9(11-5)13-17(14,15)8-4-10-7(3)12-8/h4H,1-3H3,(H,10,12)(H,11,13)
InChIKeyJFEFEVXCFTWYII-UHFFFAOYSA-N
XLogP1.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 62998511) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2nc(C)c(C)s2)[nH]1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is JFEFEVXCFTWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5-6(2)16-9(11-5)13-17(14,15)8-4-10-7(3)12-8/h4H,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62998511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).