3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one

C15H20N4OS2 — CID 39162008

IUPAC3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
SMILESCCc1cc2c(SCCC(=O)N3CCNCC3)ncnc2s1
InChIInChI=1S/C15H20N4OS2/c1-2-11-9-12-14(17-10-18-15(12)22-11)21-8-3-13(20)19-6-4-16-5-7-19/h9-10,16H,2-8H2,1H3
InChIKeyWFQZYXWDYVUTPM-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.17
Rot. Bonds5

About 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one

3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39162008) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
PubChem CID39162008
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
SMILESCCc1cc2c(SCCC(=O)N3CCNCC3)ncnc2s1
InChIInChI=1S/C15H20N4OS2/c1-2-11-9-12-14(17-10-18-15(12)22-11)21-8-3-13(20)19-6-4-16-5-7-19/h9-10,16H,2-8H2,1H3
InChIKeyWFQZYXWDYVUTPM-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
CID 39163135
1-(4-benzylpiperidin-1-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2417436
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 27927259
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 27927265
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
1-(4-chlorophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 696855
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 82147639
1-piperazin-1-yl-3-(7H-purin-6-ylsulfanyl)propan-1-one
CID 62544731
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8570411
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 39083157
5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentanenitrile
CID 9114655
3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982924

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one (CID 39162008) is 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one is CCc1cc2c(SCCC(=O)N3CCNCC3)ncnc2s1.
What is the InChIKey of 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is WFQZYXWDYVUTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-2-11-9-12-14(17-10-18-15(12)22-11)21-8-3-13(20)19-6-4-16-5-7-19/h9-10,16H,2-8H2,1H3.
What are the key properties of 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one?
3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 336.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39162008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).