1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone

C12H11NO2S — CID 46785544

IUPAC1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1cccc(-c2csc(C(C)=O)n2)c1
InChIInChI=1S/C12H11NO2S/c1-8(14)12-13-11(7-16-12)9-4-3-5-10(6-9)15-2/h3-7H,1-2H3
InChIKeyFNJBREUSSPJTIW-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.02
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone

1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 46785544) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID46785544
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1cccc(-c2csc(C(C)=O)n2)c1
InChIInChI=1S/C12H11NO2S/c1-8(14)12-13-11(7-16-12)9-4-3-5-10(6-9)15-2/h3-7H,1-2H3
InChIKeyFNJBREUSSPJTIW-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-methoxyphenyl)-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

2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 4102710
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-(4-bromoanilino)-4-(3-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3634746
(Z)-3-(2-methoxyphenyl)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18558310
3-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 4143661
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
CID 95478159

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone (CID 46785544) is 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone is COc1cccc(-c2csc(C(C)=O)n2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is FNJBREUSSPJTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8(14)12-13-11(7-16-12)9-4-3-5-10(6-9)15-2/h3-7H,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 233.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 46785544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).