3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H12FN3S2 — CID 2817161

IUPAC3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESFc1ccc(-n2c(-c3cccs3)csc2=Nc2ccccn2)cc1
InChIInChI=1S/C18H12FN3S2/c19-13-6-8-14(9-7-13)22-15(16-4-3-11-23-16)12-24-18(22)21-17-5-1-2-10-20-17/h1-12H
InChIKeyJCADGKQXPPDODY-UHFFFAOYSA-N
MW353.45 g/mol
LogP5.03
Rot. Bonds3

About 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 2817161) has the molecular formula C18H12FN3S2 and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID2817161
Molecular FormulaC18H12FN3S2
Molecular Weight353.45 g/mol
Exact Mass353.05
IUPAC Name3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESFc1ccc(-n2c(-c3cccs3)csc2=Nc2ccccn2)cc1
InChIInChI=1S/C18H12FN3S2/c19-13-6-8-14(9-7-13)22-15(16-4-3-11-23-16)12-24-18(22)21-17-5-1-2-10-20-17/h1-12H
InChIKeyJCADGKQXPPDODY-UHFFFAOYSA-N
XLogP5.03
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 2817161) is 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is Fc1ccc(-n2c(-c3cccs3)csc2=Nc2ccccn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is JCADGKQXPPDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S2/c19-13-6-8-14(9-7-13)22-15(16-4-3-11-23-16)12-24-18(22)21-17-5-1-2-10-20-17/h1-12H.
What are the key properties of 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 353.45 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 2817161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).