4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine

C15H10ClFN2S — CID 625297

IUPAC4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1F
InChIInChI=1S/C15H10ClFN2S/c16-11-7-5-10(6-8-11)14-9-20-15(18)19(14)13-4-2-1-3-12(13)17/h1-9,18H/b18-15-
InChIKeySZTWXAFPFTWJHZ-SDXDJHTJSA-N
MW304.78 g/mol
LogP4.48
Rot. Bonds2

About 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine

4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 625297) has the molecular formula C15H10ClFN2S and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID625297
Molecular FormulaC15H10ClFN2S
Molecular Weight304.78 g/mol
Exact Mass304.02
IUPAC Name4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1F
InChIInChI=1S/C15H10ClFN2S/c16-11-7-5-10(6-8-11)14-9-20-15(18)19(14)13-4-2-1-3-12(13)17/h1-9,18H/b18-15-
InChIKeySZTWXAFPFTWJHZ-SDXDJHTJSA-N
XLogP4.48
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 625297) is 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine is [H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1F.
What is the InChIKey of 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is SZTWXAFPFTWJHZ-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10ClFN2S/c16-11-7-5-10(6-8-11)14-9-20-15(18)19(14)13-4-2-1-3-12(13)17/h1-9,18H/b18-15-.
What are the key properties of 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 304.78 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 625297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).