3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one

C19H16BrNO2S — CID 173263268

IUPAC3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one
SMILESCOc1csc(C(Cc2cccc(Br)c2)C(=O)c2ccccc2)n1
InChIInChI=1S/C19H16BrNO2S/c1-23-17-12-24-19(21-17)16(11-13-6-5-9-15(20)10-13)18(22)14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3
InChIKeyIXHXBGYNRGGIMG-UHFFFAOYSA-N
MW402.31 g/mol
LogP5.12
Rot. Bonds6

About 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one

3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one (PubChem CID 173263268) has the molecular formula C19H16BrNO2S and a molecular weight of 402.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one
PubChem CID173263268
Molecular FormulaC19H16BrNO2S
Molecular Weight402.31 g/mol
Exact Mass401.01
IUPAC Name3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one
SMILESCOc1csc(C(Cc2cccc(Br)c2)C(=O)c2ccccc2)n1
InChIInChI=1S/C19H16BrNO2S/c1-23-17-12-24-19(21-17)16(11-13-6-5-9-15(20)10-13)18(22)14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3
InChIKeyIXHXBGYNRGGIMG-UHFFFAOYSA-N
XLogP5.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one (CID 173263268) is 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one is COc1csc(C(Cc2cccc(Br)c2)C(=O)c2ccccc2)n1.
What is the InChIKey of 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one?
The InChIKey is IXHXBGYNRGGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2S/c1-23-17-12-24-19(21-17)16(11-13-6-5-9-15(20)10-13)18(22)14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3.
What are the key properties of 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one?
3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one has a molecular weight of 402.31 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-(4-methoxy-1,3-thiazol-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 173263268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).