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

C13H13NOS — CID 14042844

IUPAC1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone
SMILESCc1nsc(C)c1C(=O)Cc1ccccc1
InChIInChI=1S/C13H13NOS/c1-9-13(10(2)16-14-9)12(15)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeySULLEZKALNXKSA-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.19
Rot. Bonds3

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

1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone (PubChem CID 14042844) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone
PubChem CID14042844
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone
SMILESCc1nsc(C)c1C(=O)Cc1ccccc1
InChIInChI=1S/C13H13NOS/c1-9-13(10(2)16-14-9)12(15)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeySULLEZKALNXKSA-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone 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

dibenzyl 3-methyl-1,2-thiazole-4,5-dicarboxylate
CID 134511518
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(3,5-dimethyl-1,2-thiazol-4-yl)ethanone;hydrochloride
CID 158234935
3-methyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylic acid
CID 79402917
3,5-dimethyl-1,2-thiazole-4-carbothioic S-acid
CID 141055273
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
benzene;1-phenylpropan-2-one
CID 21430852
1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
CID 159085381
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397623

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone?
The IUPAC name of 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone (CID 14042844) is 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone?
The canonical SMILES for 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone is Cc1nsc(C)c1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone?
The InChIKey is SULLEZKALNXKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-9-13(10(2)16-14-9)12(15)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone?
1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone has a molecular weight of 231.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone is sourced from PubChem (CID 14042844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).