N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine

C21H17N3S — CID 716462

IUPACN,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)n2Cc2cccnc2)cc1
InChIInChI=1S/C21H17N3S/c1-3-9-18(10-4-1)20-16-25-21(23-19-11-5-2-6-12-19)24(20)15-17-8-7-13-22-14-17/h1-14,16H,15H2/b23-21-
InChIKeySPGWDSRXEQHWPK-LNVKXUELSA-N
MW343.46 g/mol
LogP4.89
Rot. Bonds4

About N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine

N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 716462) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
PubChem CID716462
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC NameN,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)n2Cc2cccnc2)cc1
InChIInChI=1S/C21H17N3S/c1-3-9-18(10-4-1)20-16-25-21(23-19-11-5-2-6-12-19)24(20)15-17-8-7-13-22-14-17/h1-14,16H,15H2/b23-21-
InChIKeySPGWDSRXEQHWPK-LNVKXUELSA-N
XLogP4.89
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,4-diphenyl-3-(pyridin-3-ylmethyl)-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 N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine (CID 716462) is N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine is c1ccc(/N=c2\scc(-c3ccccc3)n2Cc2cccnc2)cc1.
What is the InChIKey of N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is SPGWDSRXEQHWPK-LNVKXUELSA-N. The full InChI is InChI=1S/C21H17N3S/c1-3-9-18(10-4-1)20-16-25-21(23-19-11-5-2-6-12-19)24(20)15-17-8-7-13-22-14-17/h1-14,16H,15H2/b23-21-.
What are the key properties of N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 343.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 716462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).