2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one

C10H10N2OS2 — CID 82388622

IUPAC2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one
SMILESO=C1CCNC(c2nsc3sccc23)C1
InChIInChI=1S/C10H10N2OS2/c13-6-1-3-11-8(5-6)9-7-2-4-14-10(7)15-12-9/h2,4,8,11H,1,3,5H2
InChIKeyOWEYSHIZWXKAKV-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.35
Rot. Bonds1

About 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one

2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one (PubChem CID 82388622) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one.

Molecular Properties

Compound Name2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one
PubChem CID82388622
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one
SMILESO=C1CCNC(c2nsc3sccc23)C1
InChIInChI=1S/C10H10N2OS2/c13-6-1-3-11-8(5-6)9-7-2-4-14-10(7)15-12-9/h2,4,8,11H,1,3,5H2
InChIKeyOWEYSHIZWXKAKV-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one?
The IUPAC name of 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one (CID 82388622) is 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one.
What is the SMILES notation for 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one?
The canonical SMILES for 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one is O=C1CCNC(c2nsc3sccc23)C1.
What is the InChIKey of 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one?
The InChIKey is OWEYSHIZWXKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c13-6-1-3-11-8(5-6)9-7-2-4-14-10(7)15-12-9/h2,4,8,11H,1,3,5H2.
What are the key properties of 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one?
2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d][1,2]thiazol-3-ylpiperidin-4-one is sourced from PubChem (CID 82388622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).