2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

C9H8N4OS — CID 175835384

IUPAC2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(-c3cn[nH]c3)sc21
InChIInChI=1S/C9H8N4OS/c14-8-7-6(1-2-10-8)13-9(15-7)5-3-11-12-4-5/h3-4H,1-2H2,(H,10,14)(H,11,12)
InChIKeyCMDNERVMRRJQDO-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.82
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 175835384) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID175835384
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(-c3cn[nH]c3)sc21
InChIInChI=1S/C9H8N4OS/c14-8-7-6(1-2-10-8)13-9(15-7)5-3-11-12-4-5/h3-4H,1-2H2,(H,10,14)(H,11,12)
InChIKeyCMDNERVMRRJQDO-UHFFFAOYSA-N
XLogP0.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 175835384) is 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(-c3cn[nH]c3)sc21.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is CMDNERVMRRJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c14-8-7-6(1-2-10-8)13-9(15-7)5-3-11-12-4-5/h3-4H,1-2H2,(H,10,14)(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 220.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 175835384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).