7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one

C11H13NO2S — CID 5323919

IUPAC7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=C1CC(c2ccco2)CC2SCCN12
InChIInChI=1S/C11H13NO2S/c13-10-6-8(9-2-1-4-14-9)7-11-12(10)3-5-15-11/h1-2,4,8,11H,3,5-7H2
InChIKeyDNCLYHFGTLJWOU-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.06
Rot. Bonds1

About 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one

7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 5323919) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID5323919
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=C1CC(c2ccco2)CC2SCCN12
InChIInChI=1S/C11H13NO2S/c13-10-6-8(9-2-1-4-14-9)7-11-12(10)3-5-15-11/h1-2,4,8,11H,3,5-7H2
InChIKeyDNCLYHFGTLJWOU-UHFFFAOYSA-N
XLogP2.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one with MolForge

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Related Compounds

(7S,8aS)-7-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 101103491
(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
CID 30033441
2-(4,7-dimethyl-3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b]pyrazin-2-ylidene)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 14516895
2-(thian-4-yl)furan
CID 68570880
(4R)-1-benzyl-4-(furan-2-yl)pyrrolidin-2-one
CID 102377410
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
4-[7-(furan-2-yl)-1,4-thiazepane-4-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 90632371
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,3-thiazolidine
CID 686042
3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
CID 102347424
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
2-(cyclopropanecarbonyl)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 52950845
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 5323919) is 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one is O=C1CC(c2ccco2)CC2SCCN12.
What is the InChIKey of 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is DNCLYHFGTLJWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-10-6-8(9-2-1-4-14-9)7-11-12(10)3-5-15-11/h1-2,4,8,11H,3,5-7H2.
What are the key properties of 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 223.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 5323919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).