2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

C8H8N2O2S — CID 89027456

IUPAC2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(=O)c1nc2c(s1)C(=O)NCC2
InChIInChI=1S/C8H8N2O2S/c1-4(11)8-10-5-2-3-9-7(12)6(5)13-8/h2-3H2,1H3,(H,9,12)
InChIKeyRUIKHRHOMTVLLN-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.63
Rot. Bonds1

About 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 89027456) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID89027456
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(=O)c1nc2c(s1)C(=O)NCC2
InChIInChI=1S/C8H8N2O2S/c1-4(11)8-10-5-2-3-9-7(12)6(5)13-8/h2-3H2,1H3,(H,9,12)
InChIKeyRUIKHRHOMTVLLN-UHFFFAOYSA-N
XLogP0.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 89027456) is 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is CC(=O)c1nc2c(s1)C(=O)NCC2.
What is the InChIKey of 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is RUIKHRHOMTVLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4(11)8-10-5-2-3-9-7(12)6(5)13-8/h2-3H2,1H3,(H,9,12).
What are the key properties of 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 196.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 89027456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).