3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

C19H20N4O2S3 — CID 24631203

IUPAC3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SCc2nc(CC(C)C)no2)nc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C19H20N4O2S3/c1-4-23-18(24)16-12(13-6-5-7-26-13)9-27-17(16)21-19(23)28-10-15-20-14(22-25-15)8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyDHTKHMLWQACMNZ-UHFFFAOYSA-N
MW432.60 g/mol
LogP5.08
Rot. Bonds7

About 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 24631203) has the molecular formula C19H20N4O2S3 and a molecular weight of 432.60 g/mol. Its IUPAC name is 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID24631203
Molecular FormulaC19H20N4O2S3
Molecular Weight432.60 g/mol
Exact Mass432.07
IUPAC Name3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SCc2nc(CC(C)C)no2)nc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C19H20N4O2S3/c1-4-23-18(24)16-12(13-6-5-7-26-13)9-27-17(16)21-19(23)28-10-15-20-14(22-25-15)8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyDHTKHMLWQACMNZ-UHFFFAOYSA-N
XLogP5.08
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.60
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 7743810
2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4821340
3-ethyl-2-(3-methylsulfonylpropylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 86887711
3-ethyl-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 38663353
N-(dicyclopropylmethyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30093050
N-cyclopentyl-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7363940
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 138042506
N-(5-chloro-2-pyridinyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 24594086
2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 55392581
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 47025696
3-ethyl-2-piperazin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 39163694
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 24631203) is 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is CCn1c(SCc2nc(CC(C)C)no2)nc2scc(-c3cccs3)c2c1=O.
What is the InChIKey of 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is DHTKHMLWQACMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S3/c1-4-23-18(24)16-12(13-6-5-7-26-13)9-27-17(16)21-19(23)28-10-15-20-14(22-25-15)8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3.
What are the key properties of 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 432.60 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24631203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).