2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C21H24N4OS2 — CID 35477134

IUPAC2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCc1cc2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(C)nc2s1
InChIInChI=1S/C21H24N4OS2/c1-3-17-13-18-20(22-15(2)23-21(18)28-17)27-14-19(26)25-11-9-24(10-12-25)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyBNYPOHSKLQPVKK-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.00
Rot. Bonds5

About 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 35477134) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID35477134
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC Name2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCc1cc2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(C)nc2s1
InChIInChI=1S/C21H24N4OS2/c1-3-17-13-18-20(22-15(2)23-21(18)28-17)27-14-19(26)25-11-9-24(10-12-25)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyBNYPOHSKLQPVKK-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 39075356
1-(4-phenylpiperazin-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 4821831
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 6458768
6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1123745
N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 39075440
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 27927259
2-[2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 39073293
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 27927265
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 28896346
1-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 39073278
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 35477134) is 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is CCc1cc2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(C)nc2s1.
What is the InChIKey of 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BNYPOHSKLQPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-3-17-13-18-20(22-15(2)23-21(18)28-17)27-14-19(26)25-11-9-24(10-12-25)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3.
What are the key properties of 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 412.58 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 35477134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).