4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide

C13H13N3O2S2 — CID 106919743

IUPAC4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1C#N
InChIInChI=1S/C13H13N3O2S2/c1-8-6-12(5-4-11(8)7-14)20(17,18)16-13-15-9(2)10(3)19-13/h4-6H,1-3H3,(H,15,16)
InChIKeyXWZVDKTYHIZPON-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.74
Rot. Bonds3

About 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide

4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide (PubChem CID 106919743) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
PubChem CID106919743
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1C#N
InChIInChI=1S/C13H13N3O2S2/c1-8-6-12(5-4-11(8)7-14)20(17,18)16-13-15-9(2)10(3)19-13/h4-6H,1-3H3,(H,15,16)
InChIKeyXWZVDKTYHIZPON-UHFFFAOYSA-N
XLogP2.74
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919755
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide (CID 106919743) is 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1C#N.
What is the InChIKey of 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is XWZVDKTYHIZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-8-6-12(5-4-11(8)7-14)20(17,18)16-13-15-9(2)10(3)19-13/h4-6H,1-3H3,(H,15,16).
What are the key properties of 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).