1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one

C13H12BrNO2S — CID 118609224

IUPAC1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(-c2cccc(Br)c2)nc1OC
InChIInChI=1S/C13H12BrNO2S/c1-3-10(16)11-12(17-2)15-13(18-11)8-5-4-6-9(14)7-8/h4-7H,3H2,1-2H3
InChIKeyNVYBSKAFSZVRCK-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.17
Rot. Bonds4

About 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one

1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one (PubChem CID 118609224) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
PubChem CID118609224
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(-c2cccc(Br)c2)nc1OC
InChIInChI=1S/C13H12BrNO2S/c1-3-10(16)11-12(17-2)15-13(18-11)8-5-4-6-9(14)7-8/h4-7H,3H2,1-2H3
InChIKeyNVYBSKAFSZVRCK-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one 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-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
CID 118609209
methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114374877
1-[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 118609241
1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 118609147
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 118609153
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1385010
[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone
CID 129275217
ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
CID 122508677
ethyl 2-(3-bromophenyl)-1,3-benzothiazole-6-carboxylate
CID 95930252
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1388900
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one (CID 118609224) is 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1sc(-c2cccc(Br)c2)nc1OC.
What is the InChIKey of 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is NVYBSKAFSZVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-3-10(16)11-12(17-2)15-13(18-11)8-5-4-6-9(14)7-8/h4-7H,3H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one?
1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 326.22 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 118609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).