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

C15H14F3N5S — CID 25205066

IUPAC4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3ccccn3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N5S/c1-2-7-23-8-10(13(22-23)15(16,17)18)11-9-24-14(20-11)21-12-5-3-4-6-19-12/h3-6,8-9H,2,7H2,1H3,(H,19,20,21)
InChIKeyXEHGINAJEBNDNG-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.57
Rot. Bonds5

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

4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 25205066) has the molecular formula C15H14F3N5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID25205066
Molecular FormulaC15H14F3N5S
Molecular Weight353.37 g/mol
Exact Mass353.09
IUPAC Name4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3ccccn3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N5S/c1-2-7-23-8-10(13(22-23)15(16,17)18)11-9-24-14(20-11)21-12-5-3-4-6-19-12/h3-6,8-9H,2,7H2,1H3,(H,19,20,21)
InChIKeyXEHGINAJEBNDNG-UHFFFAOYSA-N
XLogP4.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 25205066) is 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is CCCn1cc(-c2csc(Nc3ccccn3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XEHGINAJEBNDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5S/c1-2-7-23-8-10(13(22-23)15(16,17)18)11-9-24-14(20-11)21-12-5-3-4-6-19-12/h3-6,8-9H,2,7H2,1H3,(H,19,20,21).
What are the key properties of 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 353.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 25205066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).