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

C12H8F3N5S — CID 118016478

IUPAC5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1
InChIInChI=1S/C12H8F3N5S/c13-12(14,15)10-8(7-1-2-9(16)18-5-7)6-20(19-10)11-17-3-4-21-11/h1-6H,(H2,16,18)
InChIKeyLEYLVQHPZRDQLG-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.99
Rot. Bonds2

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

5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 118016478) has the molecular formula C12H8F3N5S and a molecular weight of 311.29 g/mol. Its IUPAC name is 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
PubChem CID118016478
Molecular FormulaC12H8F3N5S
Molecular Weight311.29 g/mol
Exact Mass311.05
IUPAC Name5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1
InChIInChI=1S/C12H8F3N5S/c13-12(14,15)10-8(7-1-2-9(16)18-5-7)6-20(19-10)11-17-3-4-21-11/h1-6H,(H2,16,18)
InChIKeyLEYLVQHPZRDQLG-UHFFFAOYSA-N
XLogP2.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine (CID 118016478) is 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1.
What is the InChIKey of 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is LEYLVQHPZRDQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S/c13-12(14,15)10-8(7-1-2-9(16)18-5-7)6-20(19-10)11-17-3-4-21-11/h1-6H,(H2,16,18).
What are the key properties of 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 311.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 118016478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).