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

C11H7F3N4S — CID 2823397

IUPAC2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
SMILESCc1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C11H7F3N4S/c1-6-4-9-16-7(10-15-2-3-19-10)5-8(11(12,13)14)18(9)17-6/h2-5H,1H3
InChIKeyUIVHHBZXVAWRDT-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.18
Rot. Bonds1

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

2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole (PubChem CID 2823397) has the molecular formula C11H7F3N4S and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
PubChem CID2823397
Molecular FormulaC11H7F3N4S
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
SMILESCc1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C11H7F3N4S/c1-6-4-9-16-7(10-15-2-3-19-10)5-8(11(12,13)14)18(9)17-6/h2-5H,1H3
InChIKeyUIVHHBZXVAWRDT-UHFFFAOYSA-N
XLogP3.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
5-[6-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71579008
3-(3,5-Dimethyl-pyrazol-1-yl)-6-isopropylmercaptoimidazo[1,2-b][1,2,4,5]-tetrazine
CID 135398218
2-[2-Butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300264
2-[2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
2-[2-Thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823482
2-[2-Butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300265
5-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70711262
2-[2-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823376
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 77093229
2-(Fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole
CID 46219024
6-(3-Thiazol-2-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-ylamine
CID 57861947

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole (CID 2823397) is 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole is Cc1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The InChIKey is UIVHHBZXVAWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4S/c1-6-4-9-16-7(10-15-2-3-19-10)5-8(11(12,13)14)18(9)17-6/h2-5H,1H3.
What are the key properties of 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole has a molecular weight of 284.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole is sourced from PubChem (CID 2823397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).