3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine

C21H15FN4S — CID 171975442

IUPAC3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccc(C=Nn2cc(-c3ccccc3)s/c2=N\c2cccnc2)cc1
InChIInChI=1S/C21H15FN4S/c22-18-10-8-16(9-11-18)13-24-26-15-20(17-5-2-1-3-6-17)27-21(26)25-19-7-4-12-23-14-19/h1-15H/b24-13?,25-21-
InChIKeyQRUIGPABBYKERP-ZYUFCRHZSA-N
MW374.44 g/mol
LogP4.87
Rot. Bonds4

About 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine

3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 171975442) has the molecular formula C21H15FN4S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID171975442
Molecular FormulaC21H15FN4S
Molecular Weight374.44 g/mol
Exact Mass374.10
IUPAC Name3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccc(C=Nn2cc(-c3ccccc3)s/c2=N\c2cccnc2)cc1
InChIInChI=1S/C21H15FN4S/c22-18-10-8-16(9-11-18)13-24-26-15-20(17-5-2-1-3-6-17)27-21(26)25-19-7-4-12-23-14-19/h1-15H/b24-13?,25-21-
InChIKeyQRUIGPABBYKERP-ZYUFCRHZSA-N
XLogP4.87
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.87
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 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 171975442) is 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine is Fc1ccc(C=Nn2cc(-c3ccccc3)s/c2=N\c2cccnc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is QRUIGPABBYKERP-ZYUFCRHZSA-N. The full InChI is InChI=1S/C21H15FN4S/c22-18-10-8-16(9-11-18)13-24-26-15-20(17-5-2-1-3-6-17)27-21(26)25-19-7-4-12-23-14-19/h1-15H/b24-13?,25-21-.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 374.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]-5-phenyl-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 171975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).