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

C20H16F3N3S — CID 2383509

IUPAC4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1N=Cc1ccc(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-HZWYOVAVSA-N
MW387.43 g/mol
LogP5.20
Rot. Bonds5

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

4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2383509) has the molecular formula C20H16F3N3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
PubChem CID2383509
Molecular FormulaC20H16F3N3S
Molecular Weight387.43 g/mol
Exact Mass387.10
IUPAC Name4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1N=Cc1ccc(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-HZWYOVAVSA-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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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (CID 2383509) is 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is JVPZDHPAOKJMKX-HZWYOVAVSA-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 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
4-phenyl-N-prop-2-enyl-3-[[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 4-phenyl-N-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2383509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).