2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole

C9H6N4S — CID 67315314

IUPAC2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole
SMILESc1cnc2cc(-c3nccs3)nn2c1
InChIInChI=1S/C9H6N4S/c1-2-10-8-6-7(12-13(8)4-1)9-11-3-5-14-9/h1-6H
InChIKeyBTUKAPLKIRVIKN-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.85
Rot. Bonds1

About 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole

2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole (PubChem CID 67315314) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole
PubChem CID67315314
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole
SMILESc1cnc2cc(-c3nccs3)nn2c1
InChIInChI=1S/C9H6N4S/c1-2-10-8-6-7(12-13(8)4-1)9-11-3-5-14-9/h1-6H
InChIKeyBTUKAPLKIRVIKN-UHFFFAOYSA-N
XLogP1.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole (CID 67315314) is 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole is c1cnc2cc(-c3nccs3)nn2c1.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole?
The InChIKey is BTUKAPLKIRVIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-10-8-6-7(12-13(8)4-1)9-11-3-5-14-9/h1-6H.
What are the key properties of 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole?
2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole has a molecular weight of 202.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 67315314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).