(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

C26H15ClN2OS — CID 18864013

IUPAC(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H15ClN2OS/c27-22-9-7-18(8-10-22)25-12-11-23(30-25)14-21(15-28)26-29-24(16-31-26)20-6-5-17-3-1-2-4-19(17)13-20/h1-14,16H/b21-14+
InChIKeyGUYAVEPXONFYFR-KGENOOAVSA-N
MW438.94 g/mol
LogP7.94
Rot. Bonds4

About (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile (PubChem CID 18864013) has the molecular formula C26H15ClN2OS and a molecular weight of 438.94 g/mol. Its IUPAC name is (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
PubChem CID18864013
Molecular FormulaC26H15ClN2OS
Molecular Weight438.94 g/mol
Exact Mass438.06
IUPAC Name(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H15ClN2OS/c27-22-9-7-18(8-10-22)25-12-11-23(30-25)14-21(15-28)26-29-24(16-31-26)20-6-5-17-3-1-2-4-19(17)13-20/h1-14,16H/b21-14+
InChIKeyGUYAVEPXONFYFR-KGENOOAVSA-N
XLogP7.94
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-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

Related Compounds

(E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 18864012
3-[5-(4-bromophenyl)furan-2-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 4736357
(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 18864040
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6029110
(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 18864022
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6085188
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 4685882
3-[5-(4-bromophenyl)furan-2-yl]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 4736358
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 6199264
(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 6295337
(E)-3-[5-(3-fluorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18864033
3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3444689

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile (CID 18864013) is (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
The InChIKey is GUYAVEPXONFYFR-KGENOOAVSA-N. The full InChI is InChI=1S/C26H15ClN2OS/c27-22-9-7-18(8-10-22)25-12-11-23(30-25)14-21(15-28)26-29-24(16-31-26)20-6-5-17-3-1-2-4-19(17)13-20/h1-14,16H/b21-14+.
What are the key properties of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile has a molecular weight of 438.94 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is sourced from PubChem (CID 18864013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).