(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine

C17H14F3N3OS — CID 6906229

IUPAC(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccco2)n1/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3OS/c1-2-21-16-23(14(11-25-16)15-7-4-8-24-15)22-10-12-5-3-6-13(9-12)17(18,19)20/h3-11H,2H2,1H3/b21-16-,22-10+
InChIKeyUIJHGTWEXWASSE-JMEOCTPNSA-N
MW365.38 g/mol
LogP4.63
Rot. Bonds4

About (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine

(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6906229) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
PubChem CID6906229
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccco2)n1/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3OS/c1-2-21-16-23(14(11-25-16)15-7-4-8-24-15)22-10-12-5-3-6-13(9-12)17(18,19)20/h3-11H,2H2,1H3/b21-16-,22-10+
InChIKeyUIJHGTWEXWASSE-JMEOCTPNSA-N
XLogP4.63
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (CID 6906229) is (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccco2)n1/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is UIJHGTWEXWASSE-JMEOCTPNSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-2-21-16-23(14(11-25-16)15-7-4-8-24-15)22-10-12-5-3-6-13(9-12)17(18,19)20/h3-11H,2H2,1H3/b21-16-,22-10+.
What are the key properties of (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 365.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6906229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).