1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

C12H14N2O2S2 — CID 110756940

IUPAC1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-9-3-5-11(6-4-9)8-18(15,16)14-12-13-10(2)7-17-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyVIZSJRPAAVUNDM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 110756940) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID110756940
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-9-3-5-11(6-4-9)8-18(15,16)14-12-13-10(2)7-17-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyVIZSJRPAAVUNDM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 100609615
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110717936
2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114133504
1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 68865423
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (CID 110756940) is 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is VIZSJRPAAVUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-3-5-11(6-4-9)8-18(15,16)14-12-13-10(2)7-17-12/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 110756940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).