4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine

C21H16FN3S — CID 1270266

IUPAC4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1
InChIInChI=1S/C21H16FN3S/c22-18-10-8-17(9-11-18)20-15-26-21(24-19-6-2-1-3-7-19)25(20)14-16-5-4-12-23-13-16/h1-13,15H,14H2/b24-21-
InChIKeyVWJFTRAWVMXEEJ-FLFQWRMESA-N
MW361.45 g/mol
LogP5.03
Rot. Bonds4

About 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 1270266) has the molecular formula C21H16FN3S and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
PubChem CID1270266
Molecular FormulaC21H16FN3S
Molecular Weight361.45 g/mol
Exact Mass361.10
IUPAC Name4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1
InChIInChI=1S/C21H16FN3S/c22-18-10-8-17(9-11-18)20-15-26-21(24-19-6-2-1-3-7-19)25(20)14-16-5-4-12-23-13-16/h1-13,15H,14H2/b24-21-
InChIKeyVWJFTRAWVMXEEJ-FLFQWRMESA-N
XLogP5.03
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine (CID 1270266) is 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine is Fc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is VWJFTRAWVMXEEJ-FLFQWRMESA-N. The full InChI is InChI=1S/C21H16FN3S/c22-18-10-8-17(9-11-18)20-15-26-21(24-19-6-2-1-3-7-19)25(20)14-16-5-4-12-23-13-16/h1-13,15H,14H2/b24-21-.
What are the key properties of 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 361.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 1270266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).