2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H22N4O4S2 — CID 2567228

IUPAC2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1c(C)sc2nc(SCC(=O)Nc3cc(C)on3)n(CCOC)c(=O)c12
InChIInChI=1S/C18H22N4O4S2/c1-5-12-11(3)28-16-15(12)17(24)22(6-7-25-4)18(20-16)27-9-14(23)19-13-8-10(2)26-21-13/h8H,5-7,9H2,1-4H3,(H,19,21,23)
InChIKeyUAOMAXKSCZKJSJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.00
Rot. Bonds8

About 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2567228) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2567228
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1c(C)sc2nc(SCC(=O)Nc3cc(C)on3)n(CCOC)c(=O)c12
InChIInChI=1S/C18H22N4O4S2/c1-5-12-11(3)28-16-15(12)17(24)22(6-7-25-4)18(20-16)27-9-14(23)19-13-8-10(2)26-21-13/h8H,5-7,9H2,1-4H3,(H,19,21,23)
InChIKeyUAOMAXKSCZKJSJ-UHFFFAOYSA-N
XLogP3.00
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2567228) is 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1c(C)sc2nc(SCC(=O)Nc3cc(C)on3)n(CCOC)c(=O)c12.
What is the InChIKey of 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UAOMAXKSCZKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-5-12-11(3)28-16-15(12)17(24)22(6-7-25-4)18(20-16)27-9-14(23)19-13-8-10(2)26-21-13/h8H,5-7,9H2,1-4H3,(H,19,21,23).
What are the key properties of 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2567228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).