4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine

C16H10ClF3N2S2 — CID 122183986

IUPAC4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Sc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C16H10ClF3N2S2/c17-11-4-1-3-10(7-11)14-9-23-15(22-14)21-12-5-2-6-13(8-12)24-16(18,19)20/h1-9H,(H,21,22)
InChIKeyZPWCHHKZSOPTED-UHFFFAOYSA-N
MW386.85 g/mol
LogP6.82
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine

4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 122183986) has the molecular formula C16H10ClF3N2S2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
PubChem CID122183986
Molecular FormulaC16H10ClF3N2S2
Molecular Weight386.85 g/mol
Exact Mass385.99
IUPAC Name4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Sc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C16H10ClF3N2S2/c17-11-4-1-3-10(7-11)14-9-23-15(22-14)21-12-5-2-6-13(8-12)24-16(18,19)20/h1-9H,(H,21,22)
InChIKeyZPWCHHKZSOPTED-UHFFFAOYSA-N
XLogP6.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.85
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine (CID 122183986) is 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)Sc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZPWCHHKZSOPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2S2/c17-11-4-1-3-10(7-11)14-9-23-15(22-14)21-12-5-2-6-13(8-12)24-16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 386.85 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 122183986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).