1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine

C19H18N2S — CID 4254034

IUPAC1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine
SMILESC=CCN1C(c2ccccc2)=CSC1N=Cc1ccccc1
InChIInChI=1S/C19H18N2S/c1-2-13-21-18(17-11-7-4-8-12-17)15-22-19(21)20-14-16-9-5-3-6-10-16/h2-12,14-15,19H,1,13H2
InChIKeyKEGGEVFSLHBNHM-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.62
Rot. Bonds5

About 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine

1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine (PubChem CID 4254034) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine
PubChem CID4254034
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine
SMILESC=CCN1C(c2ccccc2)=CSC1N=Cc1ccccc1
InChIInChI=1S/C19H18N2S/c1-2-13-21-18(17-11-7-4-8-12-17)15-22-19(21)20-14-16-9-5-3-6-10-16/h2-12,14-15,19H,1,13H2
InChIKeyKEGGEVFSLHBNHM-UHFFFAOYSA-N
XLogP4.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine (CID 4254034) is 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine is C=CCN1C(c2ccccc2)=CSC1N=Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine?
The InChIKey is KEGGEVFSLHBNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c1-2-13-21-18(17-11-7-4-8-12-17)15-22-19(21)20-14-16-9-5-3-6-10-16/h2-12,14-15,19H,1,13H2.
What are the key properties of 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine?
1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine has a molecular weight of 306.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 4254034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).