1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone

C10H8N4OS — CID 164548057

IUPAC1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone
SMILESCC(=O)c1cnn2cc(-c3cnc[nH]3)sc12
InChIInChI=1S/C10H8N4OS/c1-6(15)7-2-13-14-4-9(16-10(7)14)8-3-11-5-12-8/h2-5H,1H3,(H,11,12)
InChIKeyHJSFEJNYDMDHEW-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.99
Rot. Bonds2

About 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone

1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone (PubChem CID 164548057) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone
PubChem CID164548057
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone
SMILESCC(=O)c1cnn2cc(-c3cnc[nH]3)sc12
InChIInChI=1S/C10H8N4OS/c1-6(15)7-2-13-14-4-9(16-10(7)14)8-3-11-5-12-8/h2-5H,1H3,(H,11,12)
InChIKeyHJSFEJNYDMDHEW-UHFFFAOYSA-N
XLogP1.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone (CID 164548057) is 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone is CC(=O)c1cnn2cc(-c3cnc[nH]3)sc12.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone?
The InChIKey is HJSFEJNYDMDHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-6(15)7-2-13-14-4-9(16-10(7)14)8-3-11-5-12-8/h2-5H,1H3,(H,11,12).
What are the key properties of 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone?
1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone has a molecular weight of 232.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)pyrazolo[5,1-b][1,3]thiazol-7-yl]ethanone is sourced from PubChem (CID 164548057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).