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

C20H15FN4S2 — CID 23853067

IUPACN-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1ccccc1F)c1ccncc1
InChIInChI=1S/C20H15FN4S2/c1-14(15-8-10-22-11-9-15)24-25-18(19-7-4-12-26-19)13-27-20(25)23-17-6-3-2-5-16(17)21/h2-13H,1H3/b23-20-,24-14?
InChIKeyZPBMFDOKOPJFQE-YMSDURECSA-N
MW394.50 g/mol
LogP5.32
Rot. Bonds4

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

N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23853067) has the molecular formula C20H15FN4S2 and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23853067
Molecular FormulaC20H15FN4S2
Molecular Weight394.50 g/mol
Exact Mass394.07
IUPAC NameN-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1ccccc1F)c1ccncc1
InChIInChI=1S/C20H15FN4S2/c1-14(15-8-10-22-11-9-15)24-25-18(19-7-4-12-26-19)13-27-20(25)23-17-6-3-2-5-16(17)21/h2-13H,1H3/b23-20-,24-14?
InChIKeyZPBMFDOKOPJFQE-YMSDURECSA-N
XLogP5.32
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.32
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-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23853067) is N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is CC(=Nn1c(-c2cccs2)cs/c1=N\c1ccccc1F)c1ccncc1.
What is the InChIKey of N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is ZPBMFDOKOPJFQE-YMSDURECSA-N. The full InChI is InChI=1S/C20H15FN4S2/c1-14(15-8-10-22-11-9-15)24-25-18(19-7-4-12-26-19)13-27-20(25)23-17-6-3-2-5-16(17)21/h2-13H,1H3/b23-20-,24-14?.
What are the key properties of N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 394.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23853067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).