4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine

C15H10ClFN2S — CID 691513

IUPAC4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C15H10ClFN2S/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyVOECJTAUKDLBLM-UHFFFAOYSA-N
MW304.78 g/mol
LogP5.35
Rot. Bonds3

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

4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 691513) has the molecular formula C15H10ClFN2S and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID691513
Molecular FormulaC15H10ClFN2S
Molecular Weight304.78 g/mol
Exact Mass304.02
IUPAC Name4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C15H10ClFN2S/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyVOECJTAUKDLBLM-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 691513) is 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is VOECJTAUKDLBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2S/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-5-12(17)6-8-13/h1-9H,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 304.78 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 691513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).