1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone

C12H14N2OS2 — CID 129085527

IUPAC1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)c1cc2sc(N3CCCCC3)nc2s1
InChIInChI=1S/C12H14N2OS2/c1-8(15)9-7-10-11(16-9)13-12(17-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyKYHHEKBVMKNYPB-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.55
Rot. Bonds2

About 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone

1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone (PubChem CID 129085527) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
PubChem CID129085527
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)c1cc2sc(N3CCCCC3)nc2s1
InChIInChI=1S/C12H14N2OS2/c1-8(15)9-7-10-11(16-9)13-12(17-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyKYHHEKBVMKNYPB-UHFFFAOYSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone (CID 129085527) is 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone is CC(=O)c1cc2sc(N3CCCCC3)nc2s1.
What is the InChIKey of 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is KYHHEKBVMKNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8(15)9-7-10-11(16-9)13-12(17-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 266.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 129085527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).