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

C19H12F2N4S2 — CID 23936506

IUPACN-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccccn2)c(F)c1
InChIInChI=1S/C19H12F2N4S2/c20-13-6-7-16(15(21)10-13)24-19-25(23-11-14-4-1-2-8-22-14)17(12-27-19)18-5-3-9-26-18/h1-12H/b23-11?,24-19-
InChIKeyGABJIJOGHDFAGZ-RGYWNEAYSA-N
MW398.46 g/mol
LogP5.07
Rot. Bonds4

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

N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23936506) has the molecular formula C19H12F2N4S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23936506
Molecular FormulaC19H12F2N4S2
Molecular Weight398.46 g/mol
Exact Mass398.05
IUPAC NameN-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccccn2)c(F)c1
InChIInChI=1S/C19H12F2N4S2/c20-13-6-7-16(15(21)10-13)24-19-25(23-11-14-4-1-2-8-22-14)17(12-27-19)18-5-3-9-26-18/h1-12H/b23-11?,24-19-
InChIKeyGABJIJOGHDFAGZ-RGYWNEAYSA-N
XLogP5.07
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23936506) is N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccccn2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is GABJIJOGHDFAGZ-RGYWNEAYSA-N. The full InChI is InChI=1S/C19H12F2N4S2/c20-13-6-7-16(15(21)10-13)24-19-25(23-11-14-4-1-2-8-22-14)17(12-27-19)18-5-3-9-26-18/h1-12H/b23-11?,24-19-.
What are the key properties of N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 398.46 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(pyridin-2-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23936506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).