8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one

C15H15NO2S — CID 139233719

IUPAC8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESCC1SC2=C(C(=O)c3ccccc3)CCCN2C1=O
InChIInChI=1S/C15H15NO2S/c1-10-14(18)16-9-5-8-12(15(16)19-10)13(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyDNWCSKPSVYVRSL-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.84
Rot. Bonds2

About 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one

8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one (PubChem CID 139233719) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one.

Molecular Properties

Compound Name8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
PubChem CID139233719
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESCC1SC2=C(C(=O)c3ccccc3)CCCN2C1=O
InChIInChI=1S/C15H15NO2S/c1-10-14(18)16-9-5-8-12(15(16)19-10)13(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyDNWCSKPSVYVRSL-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
The IUPAC name of 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one (CID 139233719) is 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one.
What is the SMILES notation for 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
The canonical SMILES for 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one is CC1SC2=C(C(=O)c3ccccc3)CCCN2C1=O.
What is the InChIKey of 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
The InChIKey is DNWCSKPSVYVRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-14(18)16-9-5-8-12(15(16)19-10)13(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one has a molecular weight of 273.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one is sourced from PubChem (CID 139233719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).