1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone

C10H13NOS — CID 130683819

IUPAC1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone
SMILESCC(=O)C1=C(C)N2CCCC=C2S1
InChIInChI=1S/C10H13NOS/c1-7-10(8(2)12)13-9-5-3-4-6-11(7)9/h5H,3-4,6H2,1-2H3
InChIKeyGCQGNUAMZSRPCJ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.49
Rot. Bonds1

About 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone

1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone (PubChem CID 130683819) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone
PubChem CID130683819
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone
SMILESCC(=O)C1=C(C)N2CCCC=C2S1
InChIInChI=1S/C10H13NOS/c1-7-10(8(2)12)13-9-5-3-4-6-11(7)9/h5H,3-4,6H2,1-2H3
InChIKeyGCQGNUAMZSRPCJ-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone (CID 130683819) is 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone is CC(=O)C1=C(C)N2CCCC=C2S1.
What is the InChIKey of 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone?
The InChIKey is GCQGNUAMZSRPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-10(8(2)12)13-9-5-3-4-6-11(7)9/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone?
1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone has a molecular weight of 195.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 130683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).