2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole

C14H7F3N4S2 — CID 2823482

IUPAC2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2nccs2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C14H7F3N4S2/c15-14(16,17)11-6-9(13-18-3-5-23-13)19-12-7-8(20-21(11)12)10-2-1-4-22-10/h1-7H
InChIKeyJVLXFLCZEFCQGI-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.60
Rot. Bonds2

About 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole

2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole (PubChem CID 2823482) has the molecular formula C14H7F3N4S2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
PubChem CID2823482
Molecular FormulaC14H7F3N4S2
Molecular Weight352.37 g/mol
Exact Mass352.01
IUPAC Name2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2nccs2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C14H7F3N4S2/c15-14(16,17)11-6-9(13-18-3-5-23-13)19-12-7-8(20-21(11)12)10-2-1-4-22-10/h1-7H
InChIKeyJVLXFLCZEFCQGI-UHFFFAOYSA-N
XLogP4.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole (CID 2823482) is 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2nccs2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The InChIKey is JVLXFLCZEFCQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4S2/c15-14(16,17)11-6-9(13-18-3-5-23-13)19-12-7-8(20-21(11)12)10-2-1-4-22-10/h1-7H.
What are the key properties of 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole has a molecular weight of 352.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole is sourced from PubChem (CID 2823482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).