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

C9H12N2OS — CID 131178689

IUPAC1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
SMILESCCC(=O)N1CCc2ncsc2C1
InChIInChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3
InChIKeyAIGPRWNLVUWLJG-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.44
Rot. Bonds1

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

1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one (PubChem CID 131178689) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
PubChem CID131178689
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
SMILESCCC(=O)N1CCc2ncsc2C1
InChIInChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3
InChIKeyAIGPRWNLVUWLJG-UHFFFAOYSA-N
XLogP1.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one (CID 131178689) is 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one is CCC(=O)N1CCc2ncsc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one?
The InChIKey is AIGPRWNLVUWLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one?
1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one has a molecular weight of 196.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 131178689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).