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

C17H13Cl2N3S2 — CID 2433367

IUPAC4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccsc1
InChIInChI=1S/C17H13Cl2N3S2/c1-2-6-20-17-22(21-9-12-5-7-23-10-12)16(11-24-17)14-4-3-13(18)8-15(14)19/h2-5,7-11H,1,6H2/b20-17-,21-9?
InChIKeyVJWGNWRKYSQEGR-YQVZUPQZSA-N
MW394.35 g/mol
LogP5.55
Rot. Bonds5

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

4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2433367) has the molecular formula C17H13Cl2N3S2 and a molecular weight of 394.35 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2433367
Molecular FormulaC17H13Cl2N3S2
Molecular Weight394.35 g/mol
Exact Mass392.99
IUPAC Name4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccsc1
InChIInChI=1S/C17H13Cl2N3S2/c1-2-6-20-17-22(21-9-12-5-7-23-10-12)16(11-24-17)14-4-3-13(18)8-15(14)19/h2-5,7-11H,1,6H2/b20-17-,21-9?
InChIKeyVJWGNWRKYSQEGR-YQVZUPQZSA-N
XLogP5.55
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2433367) is 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccsc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is VJWGNWRKYSQEGR-YQVZUPQZSA-N. The full InChI is InChI=1S/C17H13Cl2N3S2/c1-2-6-20-17-22(21-9-12-5-7-23-10-12)16(11-24-17)14-4-3-13(18)8-15(14)19/h2-5,7-11H,1,6H2/b20-17-,21-9?.
What are the key properties of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 394.35 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2433367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).