(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

C17H15FN4S — CID 6905520

IUPAC(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1
InChIInChI=1S/C17H15FN4S/c1-2-19-17-22(21-11-15-5-3-4-10-20-15)16(12-23-17)13-6-8-14(18)9-7-13/h3-12H,2H2,1H3/b19-17-,21-11+
InChIKeyUJJBDPNIXIBLCW-KVPOIBJCSA-N
MW326.40 g/mol
LogP3.55
Rot. Bonds4

About (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6905520) has the molecular formula C17H15FN4S and a molecular weight of 326.40 g/mol. Its IUPAC name is (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6905520
Molecular FormulaC17H15FN4S
Molecular Weight326.40 g/mol
Exact Mass326.10
IUPAC Name(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1
InChIInChI=1S/C17H15FN4S/c1-2-19-17-22(21-11-15-5-3-4-10-20-15)16(12-23-17)13-6-8-14(18)9-7-13/h3-12H,2H2,1H3/b19-17-,21-11+
InChIKeyUJJBDPNIXIBLCW-KVPOIBJCSA-N
XLogP3.55
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.55
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-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6905520) is (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1.
What is the InChIKey of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is UJJBDPNIXIBLCW-KVPOIBJCSA-N. The full InChI is InChI=1S/C17H15FN4S/c1-2-19-17-22(21-11-15-5-3-4-10-20-15)16(12-23-17)13-6-8-14(18)9-7-13/h3-12H,2H2,1H3/b19-17-,21-11+.
What are the key properties of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 326.40 g/mol, XLogP of 3.55, 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-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6905520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).