2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole

C12H16N4S — CID 136838464

IUPAC2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
SMILESCCCc1cc2n(n1)C(c1nccs1)CCN2
InChIInChI=1S/C12H16N4S/c1-2-3-9-8-11-13-5-4-10(16(11)15-9)12-14-6-7-17-12/h6-8,10,13H,2-5H2,1H3
InChIKeyFGGYFQAXYTVXQR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.70
Rot. Bonds3

About 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole

2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole (PubChem CID 136838464) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
PubChem CID136838464
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
SMILESCCCc1cc2n(n1)C(c1nccs1)CCN2
InChIInChI=1S/C12H16N4S/c1-2-3-9-8-11-13-5-4-10(16(11)15-9)12-14-6-7-17-12/h6-8,10,13H,2-5H2,1H3
InChIKeyFGGYFQAXYTVXQR-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838509
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
2-(2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136837431
2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole
CID 136841271
2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136840091
5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
CID 136838415
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838613
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903
[7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837715
7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838337
2-ethyl-7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012029

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole (CID 136838464) is 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole is CCCc1cc2n(n1)C(c1nccs1)CCN2.
What is the InChIKey of 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The InChIKey is FGGYFQAXYTVXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-3-9-8-11-13-5-4-10(16(11)15-9)12-14-6-7-17-12/h6-8,10,13H,2-5H2,1H3.
What are the key properties of 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole is sourced from PubChem (CID 136838464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).