2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one

C18H25N3OS2 — CID 112783376

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C18H25N3OS2/c1-5-14-8-6-7-9-21(14)18(22)13(4)24-17-15-11(2)12(3)23-16(15)19-10-20-17/h10,13-14H,5-9H2,1-4H3
InChIKeyADWZYRARKISWQB-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.58
Rot. Bonds4

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 112783376) has the molecular formula C18H25N3OS2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID112783376
Molecular FormulaC18H25N3OS2
Molecular Weight363.55 g/mol
Exact Mass363.14
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C18H25N3OS2/c1-5-14-8-6-7-9-21(14)18(22)13(4)24-17-15-11(2)12(3)23-16(15)19-10-20-17/h10,13-14H,5-9H2,1-4H3
InChIKeyADWZYRARKISWQB-UHFFFAOYSA-N
XLogP4.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7887273
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223
(2R)-N-(cyclohexylcarbamoyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7887310
N-(cyclopropylcarbamoyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 17400239
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212273
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 7887430
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 17431173
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
CID 46545523
N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 865963

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 112783376) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)C(C)Sc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is ADWZYRARKISWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2/c1-5-14-8-6-7-9-21(14)18(22)13(4)24-17-15-11(2)12(3)23-16(15)19-10-20-17/h10,13-14H,5-9H2,1-4H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 363.55 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 112783376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).