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

C16H8Cl2N2OS — CID 7070992

IUPAC(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H8Cl2N2OS/c17-13-4-3-10(7-14(13)18)15-9-22-16(20-15)11(8-19)6-12-2-1-5-21-12/h1-7,9H/b11-6-
InChIKeyVILJCXTVBGMJEZ-WDZFZDKYSA-N
MW347.23 g/mol
LogP5.77
Rot. Bonds3

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

(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 7070992) has the molecular formula C16H8Cl2N2OS and a molecular weight of 347.23 g/mol. Its IUPAC name is (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
PubChem CID7070992
Molecular FormulaC16H8Cl2N2OS
Molecular Weight347.23 g/mol
Exact Mass345.97
IUPAC Name(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H8Cl2N2OS/c17-13-4-3-10(7-14(13)18)15-9-22-16(20-15)11(8-19)6-12-2-1-5-21-12/h1-7,9H/b11-6-
InChIKeyVILJCXTVBGMJEZ-WDZFZDKYSA-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 (Z)-2-[4-(3,4-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

2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 2856446
(Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7372709
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile
CID 2840632
(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 9344140
3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2839764
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
CID 4255074
(E)-3-(2-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18864266
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 6199264
(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile
CID 2212670
(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)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enenitrile
CID 7172716
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 18864013

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile (CID 7070992) is (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is N#C/C(=C/c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is VILJCXTVBGMJEZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C16H8Cl2N2OS/c17-13-4-3-10(7-14(13)18)15-9-22-16(20-15)11(8-19)6-12-2-1-5-21-12/h1-7,9H/b11-6-.
What are the key properties of (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile?
(Z)-2-[4-(3,4-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 (Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 7070992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).