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

C16H8Cl2N2OS — CID 2856446

IUPAC2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H8Cl2N2OS/c17-11-3-4-13(14(18)7-11)15-9-22-16(20-15)10(8-19)6-12-2-1-5-21-12/h1-7,9H
InChIKeyXAXJUOOEPRHAQL-UHFFFAOYSA-N
MW347.23 g/mol
LogP5.77
Rot. Bonds3

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

2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 2856446) has the molecular formula C16H8Cl2N2OS and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
PubChem CID2856446
Molecular FormulaC16H8Cl2N2OS
Molecular Weight347.23 g/mol
Exact Mass345.97
IUPAC Name2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H8Cl2N2OS/c17-11-3-4-13(14(18)7-11)15-9-22-16(20-15)10(8-19)6-12-2-1-5-21-12/h1-7,9H
InChIKeyXAXJUOOEPRHAQL-UHFFFAOYSA-N
XLogP5.77
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.23
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-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

(Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7372709
(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7070992
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6029110
(Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 7121393
(Z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 135437586
(E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile
CID 5335424
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 3123539
3-(2,4-dichlorophenyl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2840537
methyl 3-[3-[2-[(E)-1-cyano-2-(furan-2-yl)ethenyl]-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8965360
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-ethylanilino)prop-2-enenitrile
CID 3361406
(E)-3-(2-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18864266
(Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile
CID 98102638

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile (CID 2856446) is 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is N#CC(=Cc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is XAXJUOOEPRHAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2OS/c17-11-3-4-13(14(18)7-11)15-9-22-16(20-15)10(8-19)6-12-2-1-5-21-12/h1-7,9H.
What are the key properties of 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 347.23 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 2856446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).