(E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

C16H9FN2OS — CID 6053780

IUPAC(E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(F)cc1)c1nc(-c2ccco2)cs1
InChIInChI=1S/C16H9FN2OS/c17-13-5-3-11(4-6-13)8-12(9-18)16-19-14(10-21-16)15-2-1-7-20-15/h1-8,10H/b12-8+
InChIKeySOUPGOAUIWQEIZ-XYOKQWHBSA-N
MW296.33 g/mol
LogP4.61
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

(E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (PubChem CID 6053780) has the molecular formula C16H9FN2OS and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
PubChem CID6053780
Molecular FormulaC16H9FN2OS
Molecular Weight296.33 g/mol
Exact Mass296.04
IUPAC Name(E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(F)cc1)c1nc(-c2ccco2)cs1
InChIInChI=1S/C16H9FN2OS/c17-13-5-3-11(4-6-13)8-12(9-18)16-19-14(10-21-16)15-2-1-7-20-15/h1-8,10H/b12-8+
InChIKeySOUPGOAUIWQEIZ-XYOKQWHBSA-N
XLogP4.61
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile 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 (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The IUPAC name of (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CID 6053780) is (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The canonical SMILES for (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is N#C/C(=C\c1ccc(F)cc1)c1nc(-c2ccco2)cs1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The InChIKey is SOUPGOAUIWQEIZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H9FN2OS/c17-13-5-3-11(4-6-13)8-12(9-18)16-19-14(10-21-16)15-2-1-7-20-15/h1-8,10H/b12-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
(E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile has a molecular weight of 296.33 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 6053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).