1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one

C10H12N2O2S2 — CID 168710696

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1nc2c(s1)COCC2
InChIInChI=1S/C10H12N2O2S2/c13-9-3-6(15)4-12(9)10-11-7-1-2-14-5-8(7)16-10/h6,15H,1-5H2
InChIKeyAFBSZWYUFSNQRE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.25
Rot. Bonds1

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710696) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710696
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1nc2c(s1)COCC2
InChIInChI=1S/C10H12N2O2S2/c13-9-3-6(15)4-12(9)10-11-7-1-2-14-5-8(7)16-10/h6,15H,1-5H2
InChIKeyAFBSZWYUFSNQRE-UHFFFAOYSA-N
XLogP1.25
TPSA42.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168710696) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is AFBSZWYUFSNQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-9-3-6(15)4-12(9)10-11-7-1-2-14-5-8(7)16-10/h6,15H,1-5H2.
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).