[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone

C13H14N2O3S2 — CID 11842444

IUPAC[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone
SMILESCNc1nc(C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-2)15-8)11(16)9-4-6-10(7-5-9)20(3,17)18/h4-7H,1-3H3,(H,14,15)
InChIKeyONCDHDPGIVYRPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.13
Rot. Bonds4

About [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 11842444) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID11842444
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone
SMILESCNc1nc(C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-2)15-8)11(16)9-4-6-10(7-5-9)20(3,17)18/h4-7H,1-3H3,(H,14,15)
InChIKeyONCDHDPGIVYRPY-UHFFFAOYSA-N
XLogP2.13
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanone
CID 43338791
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 16944752
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2324013
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 115789501
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone (CID 11842444) is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone is CNc1nc(C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is ONCDHDPGIVYRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-2)15-8)11(16)9-4-6-10(7-5-9)20(3,17)18/h4-7H,1-3H3,(H,14,15).
What are the key properties of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone?
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 11842444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).