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

C19H18BrN2S- — CID 45109739

IUPAC(E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide
SMILESC=CCN1C(c2ccccc2)=CSC1/N=C/c1ccccc1.[Br-]
InChIInChI=1S/C19H18N2S.BrH/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;1H/p-1/b20-14+;
InChIKeyWZXZZPMTJMOAIZ-RANVTSCRSA-M
MW386.34 g/mol
LogP1.63
Rot. Bonds5

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

(E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide (PubChem CID 45109739) has the molecular formula C19H18BrN2S- and a molecular weight of 386.34 g/mol. Its IUPAC name is (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide.

Molecular Properties

Compound Name(E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide
PubChem CID45109739
Molecular FormulaC19H18BrN2S-
Molecular Weight386.34 g/mol
Exact Mass385.04
IUPAC Name(E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide
SMILESC=CCN1C(c2ccccc2)=CSC1/N=C/c1ccccc1.[Br-]
InChIInChI=1S/C19H18N2S.BrH/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;1H/p-1/b20-14+;
InChIKeyWZXZZPMTJMOAIZ-RANVTSCRSA-M
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 51.63
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 (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide?
The IUPAC name of (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide (CID 45109739) is (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide.
What is the SMILES notation for (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide?
The canonical SMILES for (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide is C=CCN1C(c2ccccc2)=CSC1/N=C/c1ccccc1.[Br-].
What is the InChIKey of (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide?
The InChIKey is WZXZZPMTJMOAIZ-RANVTSCRSA-M. The full InChI is InChI=1S/C19H18N2S.BrH/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;1H/p-1/b20-14+;.
What are the key properties of (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide?
(E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide has a molecular weight of 386.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide is sourced from PubChem (CID 45109739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).