1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone

C12H9N3OS — CID 164547082

IUPAC1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone
SMILESCC(=O)c1cnn2cc(-c3ccncc3)sc12
InChIInChI=1S/C12H9N3OS/c1-8(16)10-6-14-15-7-11(17-12(10)15)9-2-4-13-5-3-9/h2-7H,1H3
InChIKeyGOZIXYZPYCCUMH-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.66
Rot. Bonds2

About 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone

1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone (PubChem CID 164547082) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone
PubChem CID164547082
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone
SMILESCC(=O)c1cnn2cc(-c3ccncc3)sc12
InChIInChI=1S/C12H9N3OS/c1-8(16)10-6-14-15-7-11(17-12(10)15)9-2-4-13-5-3-9/h2-7H,1H3
InChIKeyGOZIXYZPYCCUMH-UHFFFAOYSA-N
XLogP2.66
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone?
The IUPAC name of 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone (CID 164547082) is 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone is CC(=O)c1cnn2cc(-c3ccncc3)sc12.
What is the InChIKey of 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone?
The InChIKey is GOZIXYZPYCCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8(16)10-6-14-15-7-11(17-12(10)15)9-2-4-13-5-3-9/h2-7H,1H3.
What are the key properties of 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone?
1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone has a molecular weight of 243.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazol-7-yl)ethanone is sourced from PubChem (CID 164547082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).