1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone

C15H17NOS — CID 82301242

IUPAC1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2c(C)c(C)cc(C)c2C)cs1
InChIInChI=1S/C15H17NOS/c1-8-6-9(2)11(4)14(10(8)3)13-7-18-15(16-13)12(5)17/h6-7H,1-5H3
InChIKeyCSUYFCCKMRCNEC-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.25
Rot. Bonds2

About 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone

1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 82301242) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID82301242
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2c(C)c(C)cc(C)c2C)cs1
InChIInChI=1S/C15H17NOS/c1-8-6-9(2)11(4)14(10(8)3)13-7-18-15(16-13)12(5)17/h6-7H,1-5H3
InChIKeyCSUYFCCKMRCNEC-UHFFFAOYSA-N
XLogP4.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867562
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277
1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 116867500
1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 63379227
1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 65194405
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide
CID 58442517

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone (CID 82301242) is 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2c(C)c(C)cc(C)c2C)cs1.
What is the InChIKey of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is CSUYFCCKMRCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-8-6-9(2)11(4)14(10(8)3)13-7-18-15(16-13)12(5)17/h6-7H,1-5H3.
What are the key properties of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 259.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 82301242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).