(E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine

C24H22N4S2 — CID 6893441

IUPAC(E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\N=c1\scc(-c2ccccc2)n1CC=C
InChIInChI=1S/C24H22N4S2/c1-3-15-27-21(19-11-7-5-8-12-19)17-29-23(27)25-26-24-28(16-4-2)22(18-30-24)20-13-9-6-10-14-20/h3-14,17-18H,1-2,15-16H2/b25-23-,26-24+
InChIKeyLSOKARJYSPXDOU-MJPLYFDISA-N
MW430.60 g/mol
LogP5.54
Rot. Bonds7

About (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine

(E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 6893441) has the molecular formula C24H22N4S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID6893441
Molecular FormulaC24H22N4S2
Molecular Weight430.60 g/mol
Exact Mass430.13
IUPAC Name(E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\N=c1\scc(-c2ccccc2)n1CC=C
InChIInChI=1S/C24H22N4S2/c1-3-15-27-21(19-11-7-5-8-12-19)17-29-23(27)25-26-24-28(16-4-2)22(18-30-24)20-13-9-6-10-14-20/h3-14,17-18H,1-2,15-16H2/b25-23-,26-24+
InChIKeyLSOKARJYSPXDOU-MJPLYFDISA-N
XLogP5.54
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine (CID 6893441) is (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccccc2)cs/c1=N\N=c1\scc(-c2ccccc2)n1CC=C.
What is the InChIKey of (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is LSOKARJYSPXDOU-MJPLYFDISA-N. The full InChI is InChI=1S/C24H22N4S2/c1-3-15-27-21(19-11-7-5-8-12-19)17-29-23(27)25-26-24-28(16-4-2)22(18-30-24)20-13-9-6-10-14-20/h3-14,17-18H,1-2,15-16H2/b25-23-,26-24+.
What are the key properties of (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine?
(E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 430.60 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-N-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6893441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).