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

C12H14N2O2S2 — CID 548045

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-8-4-6-11(7-5-8)18(15,16)14-12-13-9(2)10(3)17-12/h4-7H,1-3H3,(H,13,14)
InChIKeyBUAFJXXXUDMLJO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.87
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 548045) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID548045
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-8-4-6-11(7-5-8)18(15,16)14-12-13-9(2)10(3)17-12/h4-7H,1-3H3,(H,13,14)
InChIKeyBUAFJXXXUDMLJO-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (CID 548045) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is BUAFJXXXUDMLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-8-4-6-11(7-5-8)18(15,16)14-12-13-9(2)10(3)17-12/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 548045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).