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

C12H14N4OS2 — CID 82147639

IUPAC1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCNCC1
InChIInChI=1S/C12H14N4OS2/c17-10(16-4-2-13-3-5-16)7-19-12-9-1-6-18-11(9)14-8-15-12/h1,6,8,13H,2-5,7H2
InChIKeyNILMPPFIIZXZEW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.22
Rot. Bonds3

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

1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 82147639) has the molecular formula C12H14N4OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID82147639
Molecular FormulaC12H14N4OS2
Molecular Weight294.40 g/mol
Exact Mass294.06
IUPAC Name1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCNCC1
InChIInChI=1S/C12H14N4OS2/c17-10(16-4-2-13-3-5-16)7-19-12-9-1-6-18-11(9)14-8-15-12/h1,6,8,13H,2-5,7H2
InChIKeyNILMPPFIIZXZEW-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylsulfonylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 17410554
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
CID 39163135
1-(4-benzylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707951
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889521
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889522
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889534
1-(3,4-dihydro-2H-quinolin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707962
2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 24518916
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
2-(2-chlorophenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814510
3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39162008
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 9322175

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 82147639) is 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2sccc12)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is NILMPPFIIZXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c17-10(16-4-2-13-3-5-16)7-19-12-9-1-6-18-11(9)14-8-15-12/h1,6,8,13H,2-5,7H2.
What are the key properties of 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 294.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 82147639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).