N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine

C13H10F3N5S — CID 25204108

IUPACN-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Cn1cc(-c2csc(Nc3ccccn3)n2)cn1
InChIInChI=1S/C13H10F3N5S/c14-13(15,16)8-21-6-9(5-18-21)10-7-22-12(19-10)20-11-3-1-2-4-17-11/h1-7H,8H2,(H,17,19,20)
InChIKeyLCSFROYYNFLPTJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.71
Rot. Bonds4

About N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine

N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 25204108) has the molecular formula C13H10F3N5S and a molecular weight of 325.32 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID25204108
Molecular FormulaC13H10F3N5S
Molecular Weight325.32 g/mol
Exact Mass325.06
IUPAC NameN-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Cn1cc(-c2csc(Nc3ccccn3)n2)cn1
InChIInChI=1S/C13H10F3N5S/c14-13(15,16)8-21-6-9(5-18-21)10-7-22-12(19-10)20-11-3-1-2-4-17-11/h1-7H,8H2,(H,17,19,20)
InChIKeyLCSFROYYNFLPTJ-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-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 N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine (CID 25204108) is N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine is FC(F)(F)Cn1cc(-c2csc(Nc3ccccn3)n2)cn1.
What is the InChIKey of N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is LCSFROYYNFLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S/c14-13(15,16)8-21-6-9(5-18-21)10-7-22-12(19-10)20-11-3-1-2-4-17-11/h1-7H,8H2,(H,17,19,20).
What are the key properties of N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 325.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25204108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).