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

C15H9Cl2FN2S — CID 166194872

IUPAC4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C15H9Cl2FN2S/c16-12-6-1-9(7-13(12)17)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,20)
InChIKeyIVMXHVILVZUHQT-UHFFFAOYSA-N
MW339.22 g/mol
LogP6.00
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 166194872) has the molecular formula C15H9Cl2FN2S and a molecular weight of 339.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID166194872
Molecular FormulaC15H9Cl2FN2S
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C15H9Cl2FN2S/c16-12-6-1-9(7-13(12)17)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,20)
InChIKeyIVMXHVILVZUHQT-UHFFFAOYSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
CID 71814305
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
CID 10157905
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 166194872) is 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is IVMXHVILVZUHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2S/c16-12-6-1-9(7-13(12)17)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 339.22 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166194872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).