3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one

C10H10N2OS2 — CID 82388620

IUPAC3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one
SMILESO=C1CCNCC1c1cc2cnsc2s1
InChIInChI=1S/C10H10N2OS2/c13-8-1-2-11-5-7(8)9-3-6-4-12-15-10(6)14-9/h3-4,7,11H,1-2,5H2
InChIKeyNIWOITFXVSIPHA-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.00
Rot. Bonds1

About 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one

3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one (PubChem CID 82388620) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one.

Molecular Properties

Compound Name3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one
PubChem CID82388620
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one
SMILESO=C1CCNCC1c1cc2cnsc2s1
InChIInChI=1S/C10H10N2OS2/c13-8-1-2-11-5-7(8)9-3-6-4-12-15-10(6)14-9/h3-4,7,11H,1-2,5H2
InChIKeyNIWOITFXVSIPHA-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one?
The IUPAC name of 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one (CID 82388620) is 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one.
What is the SMILES notation for 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one?
The canonical SMILES for 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one is O=C1CCNCC1c1cc2cnsc2s1.
What is the InChIKey of 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one?
The InChIKey is NIWOITFXVSIPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c13-8-1-2-11-5-7(8)9-3-6-4-12-15-10(6)14-9/h3-4,7,11H,1-2,5H2.
What are the key properties of 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one?
3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one is sourced from PubChem (CID 82388620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).