4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole

C8H9N3S — CID 123218104

IUPAC4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole
SMILESc1cc(CCc2cnsc2)[nH]n1
InChIInChI=1S/C8H9N3S/c1(7-5-10-12-6-7)2-8-3-4-9-11-8/h3-6H,1-2H2,(H,9,11)
InChIKeyUQWROOYFOOYTIO-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.65
Rot. Bonds3

About 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole

4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole (PubChem CID 123218104) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole.

Molecular Properties

Compound Name4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole
PubChem CID123218104
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole
SMILESc1cc(CCc2cnsc2)[nH]n1
InChIInChI=1S/C8H9N3S/c1(7-5-10-12-6-7)2-8-3-4-9-11-8/h3-6H,1-2H2,(H,9,11)
InChIKeyUQWROOYFOOYTIO-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole?
The IUPAC name of 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole (CID 123218104) is 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole.
What is the SMILES notation for 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole?
The canonical SMILES for 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole is c1cc(CCc2cnsc2)[nH]n1.
What is the InChIKey of 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole?
The InChIKey is UQWROOYFOOYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1(7-5-10-12-6-7)2-8-3-4-9-11-8/h3-6H,1-2H2,(H,9,11).
What are the key properties of 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole?
4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole has a molecular weight of 179.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-pyrazol-5-yl)ethyl]-1,2-thiazole is sourced from PubChem (CID 123218104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).