2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone

C14H15NO3S2 — CID 115789501

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCc1nc(CC(=O)c2ccc(S(C)(=O)=O)cc2)sc1C
InChIInChI=1S/C14H15NO3S2/c1-9-10(2)19-14(15-9)8-13(16)11-4-6-12(7-5-11)20(3,17)18/h4-7H,8H2,1-3H3
InChIKeyRDAFEVLVUKICPO-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.59
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 115789501) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID115789501
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCc1nc(CC(=O)c2ccc(S(C)(=O)=O)cc2)sc1C
InChIInChI=1S/C14H15NO3S2/c1-9-10(2)19-14(15-9)8-13(16)11-4-6-12(7-5-11)20(3,17)18/h4-7H,8H2,1-3H3
InChIKeyRDAFEVLVUKICPO-UHFFFAOYSA-N
XLogP2.59
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
1-(3-bromo-4-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 82810356
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 115789520
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967807
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115789396
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967413
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone (CID 115789501) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone is Cc1nc(CC(=O)c2ccc(S(C)(=O)=O)cc2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is RDAFEVLVUKICPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-9-10(2)19-14(15-9)8-13(16)11-4-6-12(7-5-11)20(3,17)18/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 115789501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).