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

C16H13FN4S — CID 6907374

IUPAC(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2F)n1/N=C/c1ccncc1
InChIInChI=1S/C16H13FN4S/c1-12-11-22-16(20-15-5-3-2-4-14(15)17)21(12)19-10-13-6-8-18-9-7-13/h2-11H,1H3/b19-10+,20-16-
InChIKeyORUDKPVGWSUJHT-DXMXTUCYSA-N
MW312.37 g/mol
LogP3.51
Rot. Bonds3

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

(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6907374) has the molecular formula C16H13FN4S and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6907374
Molecular FormulaC16H13FN4S
Molecular Weight312.37 g/mol
Exact Mass312.08
IUPAC Name(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2F)n1/N=C/c1ccncc1
InChIInChI=1S/C16H13FN4S/c1-12-11-22-16(20-15-5-3-2-4-14(15)17)21(12)19-10-13-6-8-18-9-7-13/h2-11H,1H3/b19-10+,20-16-
InChIKeyORUDKPVGWSUJHT-DXMXTUCYSA-N
XLogP3.51
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.51
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-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6907374) is (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccccc2F)n1/N=C/c1ccncc1.
What is the InChIKey of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is ORUDKPVGWSUJHT-DXMXTUCYSA-N. The full InChI is InChI=1S/C16H13FN4S/c1-12-11-22-16(20-15-5-3-2-4-14(15)17)21(12)19-10-13-6-8-18-9-7-13/h2-11H,1H3/b19-10+,20-16-.
What are the key properties of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 312.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6907374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).