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

C30H26N4S2 — CID 9498727

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

4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 9498727) has the molecular formula C30H26N4S2 and a molecular weight of 506.70 g/mol. Its IUPAC name is 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
• PubChem CID: 9498727
• Molecular Formula: C30H26N4S2
• Molecular Weight: 506.70 g/mol
• Exact Mass: 506.16
• IUPAC Name: 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
• SMILES: C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(/N=c2\scc(-c3ccccc3)n2CC=C)cc1
• InChI: InChI=1S/C30H26N4S2/c1-3-19-33-27(23-11-7-5-8-12-23)21-35-29(33)31-25-15-17-26(18-16-25)32-30-34(20-4-2)28(22-36-30)24-13-9-6-10-14-24/h3-18,21-22H,1-2,19-20H2/b31-29-,32-30-
• InChIKey: XVERWOFZUYTJKC-SZDCHMHBSA-N
• XLogP: 7.58
• TPSA: 34.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.70
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine?

The IUPAC name of 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine (CID 9498727) is 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine.

What is the SMILES notation for 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine?

The canonical SMILES for 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(/N=c2\scc(-c3ccccc3)n2CC=C)cc1.

What is the InChIKey of 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine?

The InChIKey is XVERWOFZUYTJKC-SZDCHMHBSA-N. The full InChI is InChI=1S/C30H26N4S2/c1-3-19-33-27(23-11-7-5-8-12-23)21-35-29(33)31-25-15-17-26(18-16-25)32-30-34(20-4-2)28(22-36-30)24-13-9-6-10-14-24/h3-18,21-22H,1-2,19-20H2/b31-29-,32-30-.

What are the key properties of 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine?

4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 506.70 g/mol, XLogP of 7.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 9498727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).