N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine

C24H22N2S — CID 2131707

IUPACN,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\Cc3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2S/c1-19-12-14-22(15-13-19)23-18-27-24(25-16-20-8-4-2-5-9-20)26(23)17-21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3/b25-24-
InChIKeyDIPIKFMPADBBFE-IZHYLOQSSA-N
MW370.52 g/mol
LogP5.67
Rot. Bonds5

About N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine

N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 2131707) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID2131707
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC NameN,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\Cc3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2S/c1-19-12-14-22(15-13-19)23-18-27-24(25-16-20-8-4-2-5-9-20)26(23)17-21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3/b25-24-
InChIKeyDIPIKFMPADBBFE-IZHYLOQSSA-N
XLogP5.67
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 2131707) is N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N\Cc3ccccc3)n2Cc2ccccc2)cc1.
What is the InChIKey of N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is DIPIKFMPADBBFE-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2S/c1-19-12-14-22(15-13-19)23-18-27-24(25-16-20-8-4-2-5-9-20)26(23)17-21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3/b25-24-.
What are the key properties of N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 370.52 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibenzyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2131707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).