4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C10H10N2O2S2 — CID 43173625

IUPAC4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C10H10N2O2S2/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKeyUUHKWPQHPKMCCQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.77
Rot. Bonds2

About 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 43173625) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID43173625
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C10H10N2O2S2/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKeyUUHKWPQHPKMCCQ-UHFFFAOYSA-N
XLogP1.77
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 166436069
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
methane;4-methylbenzenesulfonamide
CID 66673954
(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide
CID 25385544
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 51107739
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 43173625) is 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is UUHKWPQHPKMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 254.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43173625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).