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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Related Compounds

2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2,5-Di(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2818919
5-Methyl-2-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819639
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
3-((Pyridin-2-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194810
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350

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).