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

C14H14N4O2S2 — CID 2080588

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2c(SCC(=O)Nc3cc(C)on3)ncnc2s1
InChIInChI=1S/C14H14N4O2S2/c1-3-9-5-10-13(15-7-16-14(10)22-9)21-6-12(19)17-11-4-8(2)20-18-11/h4-5,7H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyDDCFWVRUMGSQAK-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.28
Rot. Bonds5

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

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2080588) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2080588
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2c(SCC(=O)Nc3cc(C)on3)ncnc2s1
InChIInChI=1S/C14H14N4O2S2/c1-3-9-5-10-13(15-7-16-14(10)22-9)21-6-12(19)17-11-4-8(2)20-18-11/h4-5,7H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyDDCFWVRUMGSQAK-UHFFFAOYSA-N
XLogP3.28
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2080588) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc2c(SCC(=O)Nc3cc(C)on3)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DDCFWVRUMGSQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-3-9-5-10-13(15-7-16-14(10)22-9)21-6-12(19)17-11-4-8(2)20-18-11/h4-5,7H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 334.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2080588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).