4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

C17H14ClN3S2 — CID 2436582

IUPAC4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(Cl)cc2)n1N=Cc1ccsc1
InChIInChI=1S/C17H14ClN3S2/c1-2-8-19-17-21(20-10-13-7-9-22-11-13)16(12-23-17)14-3-5-15(18)6-4-14/h2-7,9-12H,1,8H2/b19-17-,20-10?
InChIKeyDNPFSUUCGFLNNH-FCJVRLCASA-N
MW359.91 g/mol
LogP4.90
Rot. Bonds5

About 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2436582) has the molecular formula C17H14ClN3S2 and a molecular weight of 359.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2436582
Molecular FormulaC17H14ClN3S2
Molecular Weight359.91 g/mol
Exact Mass359.03
IUPAC Name4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(Cl)cc2)n1N=Cc1ccsc1
InChIInChI=1S/C17H14ClN3S2/c1-2-8-19-17-21(20-10-13-7-9-22-11-13)16(12-23-17)14-3-5-15(18)6-4-14/h2-7,9-12H,1,8H2/b19-17-,20-10?
InChIKeyDNPFSUUCGFLNNH-FCJVRLCASA-N
XLogP4.90
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine 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 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2436582) is 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(Cl)cc2)n1N=Cc1ccsc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is DNPFSUUCGFLNNH-FCJVRLCASA-N. The full InChI is InChI=1S/C17H14ClN3S2/c1-2-8-19-17-21(20-10-13-7-9-22-11-13)16(12-23-17)14-3-5-15(18)6-4-14/h2-7,9-12H,1,8H2/b19-17-,20-10?.
What are the key properties of 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 359.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2436582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).