(E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine

C20H16F3N3S — CID 6903467

IUPAC(E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3S/c1-2-12-24-19-26(18(14-27-19)16-6-4-3-5-7-16)25-13-15-8-10-17(11-9-15)20(21,22)23/h2-11,13-14H,1,12H2/b24-19-,25-13+
InChIKeyJVPZDHPAOKJMKX-NGOMROOWSA-N
MW387.43 g/mol
LogP5.20
Rot. Bonds5

About (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine

(E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6903467) has the molecular formula C20H16F3N3S and a molecular weight of 387.43 g/mol. Its IUPAC name is (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
PubChem CID6903467
Molecular FormulaC20H16F3N3S
Molecular Weight387.43 g/mol
Exact Mass387.10
IUPAC Name(E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3S/c1-2-12-24-19-26(18(14-27-19)16-6-4-3-5-7-16)25-13-15-8-10-17(11-9-15)20(21,22)23/h2-11,13-14H,1,12H2/b24-19-,25-13+
InChIKeyJVPZDHPAOKJMKX-NGOMROOWSA-N
XLogP5.20
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-{(E)-[(4-Methylphenyl)methylidene]amino}-4-phenyl-1,3-thiazole-2(3H)-thione
CID 9568078
Fezatione
CID 216219
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-4-methylpentan-2-ylideneamino]-1,3-thiazol-2-imine
CID 9627015
(E)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
CID 9668546
4-(2-Fluorophenyl)-3-{[(3-fluorophenyl)methylidene]amino}-N-methyl-1,3-thiazol-2(3H)-imine
CID 2380455
3-[(3-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383522
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
(Z)-4-(2-fluorophenyl)-3-[(Z)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5678863
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338816
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338988
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2338989
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (CID 6903467) is (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is JVPZDHPAOKJMKX-NGOMROOWSA-N. The full InChI is InChI=1S/C20H16F3N3S/c1-2-12-24-19-26(18(14-27-19)16-6-4-3-5-7-16)25-13-15-8-10-17(11-9-15)20(21,22)23/h2-11,13-14H,1,12H2/b24-19-,25-13+.
What are the key properties of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
(E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 387.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6903467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).