1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one

C18H13NOS — CID 155919952

IUPAC1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1-c1nccs1)c1ccccc1
InChIInChI=1S/C18H13NOS/c20-17(15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18-19-12-13-21-18/h1-13H
InChIKeyCJAFVKXPWXLXNR-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.71
Rot. Bonds4

About 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one

1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one (PubChem CID 155919952) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one
PubChem CID155919952
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1-c1nccs1)c1ccccc1
InChIInChI=1S/C18H13NOS/c20-17(15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18-19-12-13-21-18/h1-13H
InChIKeyCJAFVKXPWXLXNR-UHFFFAOYSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-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 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one?
The IUPAC name of 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one (CID 155919952) is 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one is O=C(C=Cc1ccccc1-c1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one?
The InChIKey is CJAFVKXPWXLXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c20-17(15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18-19-12-13-21-18/h1-13H.
What are the key properties of 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one?
1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one has a molecular weight of 291.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(1,3-thiazol-2-yl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 155919952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).