4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C10H5Cl2F3N2S — CID 83153285

IUPAC4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)cs1
InChIInChI=1S/C10H5Cl2F3N2S/c11-5-1-2-7(6(3-5)10(13,14)15)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeyQSHJTSHGBZZDON-UHFFFAOYSA-N
MW313.13 g/mol
LogP5.21
Rot. Bonds2

About 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 83153285) has the molecular formula C10H5Cl2F3N2S and a molecular weight of 313.13 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID83153285
Molecular FormulaC10H5Cl2F3N2S
Molecular Weight313.13 g/mol
Exact Mass311.95
IUPAC Name4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)cs1
InChIInChI=1S/C10H5Cl2F3N2S/c11-5-1-2-7(6(3-5)10(13,14)15)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeyQSHJTSHGBZZDON-UHFFFAOYSA-N
XLogP5.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.13
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[4-chloro-2-(trifluoromethyl)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

Related Compounds

Stk125549
CID 793983
N-(4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-2-amine
CID 714147
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2118762
N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 2228702
Cyto11H8
CID 2746055
4-(3-chlorophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
CID 122183986
N-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 4737558
2-(4-Chlorophenyl)amino-4-(4-chlorophenyl)thiazole
CID 4335622
N-(4-chlorophenyl)-4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 76310192
4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 42814860
5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 3120296
N-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,3-thiazol-2-amine
CID 76334150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 83153285) is 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QSHJTSHGBZZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2S/c11-5-1-2-7(6(3-5)10(13,14)15)16-9-17-8(12)4-18-9/h1-4H,(H,16,17).
What are the key properties of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 313.13 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).