N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine

C13H10F3N5S — CID 46836868

IUPACN-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H10F3N5S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20)
InChIKeyXIXUMXISYAGUGZ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.78
Rot. Bonds4

About N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine

N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 46836868) has the molecular formula C13H10F3N5S and a molecular weight of 325.32 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID46836868
Molecular FormulaC13H10F3N5S
Molecular Weight325.32 g/mol
Exact Mass325.06
IUPAC NameN-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H10F3N5S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20)
InChIKeyXIXUMXISYAGUGZ-UHFFFAOYSA-N
XLogP3.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (CID 46836868) is N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is XIXUMXISYAGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20).
What are the key properties of N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 325.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46836868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).