4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H6ClF6N3S — CID 110208879

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1
InChIInChI=1S/C11H6ClF6N3S/c12-6-1-5(11(16,17)18)2-19-8(6)7-3-22-9(21-7)20-4-10(13,14)15/h1-3H,4H2,(H,20,21)
InChIKeyJKTDQWMXCSQRGS-UHFFFAOYSA-N
MW361.70 g/mol
LogP4.85
Rot. Bonds3

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 110208879) has the molecular formula C11H6ClF6N3S and a molecular weight of 361.70 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID110208879
Molecular FormulaC11H6ClF6N3S
Molecular Weight361.70 g/mol
Exact Mass360.99
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1
InChIInChI=1S/C11H6ClF6N3S/c12-6-1-5(11(16,17)18)2-19-8(6)7-3-22-9(21-7)20-4-10(13,14)15/h1-3H,4H2,(H,20,21)
InChIKeyJKTDQWMXCSQRGS-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.70
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-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-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 110208879) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)CNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is JKTDQWMXCSQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF6N3S/c12-6-1-5(11(16,17)18)2-19-8(6)7-3-22-9(21-7)20-4-10(13,14)15/h1-3H,4H2,(H,20,21).
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 361.70 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110208879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).