2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C12H14N2O2S2 — CID 110738865

IUPAC2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2nccs2)c1
InChIInChI=1S/C12H14N2O2S2/c1-9-3-4-10(2)11(7-9)18(15,16)14-8-12-13-5-6-17-12/h3-7,14H,8H2,1-2H3
InChIKeyZTAOOMKPOPFKIQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.24
Rot. Bonds4

About 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110738865) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110738865
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2nccs2)c1
InChIInChI=1S/C12H14N2O2S2/c1-9-3-4-10(2)11(7-9)18(15,16)14-8-12-13-5-6-17-12/h3-7,14H,8H2,1-2H3
InChIKeyZTAOOMKPOPFKIQ-UHFFFAOYSA-N
XLogP2.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
3,4-dimethyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61074119
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 110718074
2,5-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401777
5-(aminomethyl)-2-bromo-3-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114364644
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
4-bromo-3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 114362175
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 82890856
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110738865) is 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2nccs2)c1.
What is the InChIKey of 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZTAOOMKPOPFKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-3-4-10(2)11(7-9)18(15,16)14-8-12-13-5-6-17-12/h3-7,14H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110738865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).