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

C24H19ClN4S — CID 5206699

IUPAC4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H19ClN4S/c1-2-16-29-23(18-8-10-19(25)11-9-18)17-30-24(29)26-20-12-14-22(15-13-20)28-27-21-6-4-3-5-7-21/h2-15,17H,1,16H2/b26-24-,28-27+
InChIKeyLLUDDHWESILQNA-CPSJEZDLSA-N
MW430.96 g/mol
LogP7.70
Rot. Bonds6

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

4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 5206699) has the molecular formula C24H19ClN4S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID5206699
Molecular FormulaC24H19ClN4S
Molecular Weight430.96 g/mol
Exact Mass430.10
IUPAC Name4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H19ClN4S/c1-2-16-29-23(18-8-10-19(25)11-9-18)17-30-24(29)26-20-12-14-22(15-13-20)28-27-21-6-4-3-5-7-21/h2-15,17H,1,16H2/b26-24-,28-27+
InChIKeyLLUDDHWESILQNA-CPSJEZDLSA-N
XLogP7.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 5206699) is 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is LLUDDHWESILQNA-CPSJEZDLSA-N. The full InChI is InChI=1S/C24H19ClN4S/c1-2-16-29-23(18-8-10-19(25)11-9-18)17-30-24(29)26-20-12-14-22(15-13-20)28-27-21-6-4-3-5-7-21/h2-15,17H,1,16H2/b26-24-,28-27+.
What are the key properties of 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 430.96 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 5206699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).