2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

C16H16N4OS2 — CID 24856169

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n1
InChIInChI=1S/C16H16N4OS2/c1-9-5-4-6-12(19-9)20-13(21)7-22-15-14-10(2)11(3)23-16(14)18-8-17-15/h4-6,8H,7H2,1-3H3,(H,19,20,21)
InChIKeyUUWXYEAKRQHVFX-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.74
Rot. Bonds4

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 24856169) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID24856169
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n1
InChIInChI=1S/C16H16N4OS2/c1-9-5-4-6-12(19-9)20-13(21)7-22-15-14-10(2)11(3)23-16(14)18-8-17-15/h4-6,8H,7H2,1-3H3,(H,19,20,21)
InChIKeyUUWXYEAKRQHVFX-UHFFFAOYSA-N
XLogP3.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (CID 24856169) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n1.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is UUWXYEAKRQHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-9-5-4-6-12(19-9)20-13(21)7-22-15-14-10(2)11(3)23-16(14)18-8-17-15/h4-6,8H,7H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 24856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).