2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone

C15H20N4OS2 — CID 119472781

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
SMILESCc1sc2ncnc(SCC(=O)N3CCNCC3C)c2c1C
InChIInChI=1S/C15H20N4OS2/c1-9-6-16-4-5-19(9)12(20)7-21-14-13-10(2)11(3)22-15(13)18-8-17-14/h8-9,16H,4-7H2,1-3H3
InChIKeyJGIPGHJVWQQNDO-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.22
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119472781) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119472781
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
SMILESCc1sc2ncnc(SCC(=O)N3CCNCC3C)c2c1C
InChIInChI=1S/C15H20N4OS2/c1-9-6-16-4-5-19(9)12(20)7-21-14-13-10(2)11(3)22-15(13)18-8-17-14/h8-9,16H,4-7H2,1-3H3
InChIKeyJGIPGHJVWQQNDO-UHFFFAOYSA-N
XLogP2.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 17431173
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389401
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 78762835
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212411
4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7887421
1-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 75454798
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3137198
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methylphenyl)ethanone
CID 2908327
N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 865963
5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959312
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone (CID 119472781) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone is Cc1sc2ncnc(SCC(=O)N3CCNCC3C)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is JGIPGHJVWQQNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-9-6-16-4-5-19(9)12(20)7-21-14-13-10(2)11(3)22-15(13)18-8-17-14/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 336.49 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119472781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).