2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone

C13H16N4OS2 — CID 39163135

IUPAC2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
SMILESCc1cc2c(SCC(=O)N3CCNCC3)ncnc2s1
InChIInChI=1S/C13H16N4OS2/c1-9-6-10-12(15-8-16-13(10)20-9)19-7-11(18)17-4-2-14-3-5-17/h6,8,14H,2-5,7H2,1H3
InChIKeyZGHUSFCJTAZFOX-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.52
Rot. Bonds3

About 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone

2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone (PubChem CID 39163135) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
PubChem CID39163135
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
SMILESCc1cc2c(SCC(=O)N3CCNCC3)ncnc2s1
InChIInChI=1S/C13H16N4OS2/c1-9-6-10-12(15-8-16-13(10)20-9)19-7-11(18)17-4-2-14-3-5-17/h6,8,14H,2-5,7H2,1H3
InChIKeyZGHUSFCJTAZFOX-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.52
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-(4-phenylpiperazin-1-yl)ethanone
CID 6458768
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 82147639
3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39162008
1-[2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 82033801
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 16627264
N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6457426
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
(6-methylthieno[2,3-d]pyrimidin-4-yl) pyrrolidine-1-carbodithioate
CID 133407460
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 39072810
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 27927265
2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
CID 106679402

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone (CID 39163135) is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone is Cc1cc2c(SCC(=O)N3CCNCC3)ncnc2s1.
What is the InChIKey of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone?
The InChIKey is ZGHUSFCJTAZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-9-6-10-12(15-8-16-13(10)20-9)19-7-11(18)17-4-2-14-3-5-17/h6,8,14H,2-5,7H2,1H3.
What are the key properties of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone?
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone has a molecular weight of 308.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone is sourced from PubChem (CID 39163135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).