1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

C13H15N3OS2 — CID 4621619

IUPAC1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCCCC1
InChIInChI=1S/C13H15N3OS2/c17-11(16-5-2-1-3-6-16)8-19-13-10-4-7-18-12(10)14-9-15-13/h4,7,9H,1-3,5-6,8H2
InChIKeyFZBUBLBVBJXCKB-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.80
Rot. Bonds3

About 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 4621619) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID4621619
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCCCC1
InChIInChI=1S/C13H15N3OS2/c17-11(16-5-2-1-3-6-16)8-19-13-10-4-7-18-12(10)14-9-15-13/h4,7,9H,1-3,5-6,8H2
InChIKeyFZBUBLBVBJXCKB-UHFFFAOYSA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 4621619) is 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2sccc12)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is FZBUBLBVBJXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c17-11(16-5-2-1-3-6-16)8-19-13-10-4-7-18-12(10)14-9-15-13/h4,7,9H,1-3,5-6,8H2.
What are the key properties of 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 293.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 4621619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).