2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

C17H14N6O2S3 — CID 4632868

About 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4632868) has the molecular formula C17H14N6O2S3 and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 4632868
• Molecular Formula: C17H14N6O2S3
• Molecular Weight: 430.54 g/mol
• Exact Mass: 430.03
• IUPAC Name: 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
• SMILES: Cc1cc2c(=O)n(Cc3cccnc3)c(SCC(=O)Nc3nncs3)nc2s1
• InChI: InChI=1S/C17H14N6O2S3/c1-10-5-12-14(28-10)21-17(26-8-13(24)20-16-22-19-9-27-16)23(15(12)25)7-11-3-2-4-18-6-11/h2-6,9H,7-8H2,1H3,(H,20,22,24)
• InChIKey: RMEJXFHUBWWJEU-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 102.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.54
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 4632868) is 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cc2c(=O)n(Cc3cccnc3)c(SCC(=O)Nc3nncs3)nc2s1.

What is the InChIKey of 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is RMEJXFHUBWWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S3/c1-10-5-12-14(28-10)21-17(26-8-13(24)20-16-22-19-9-27-16)23(15(12)25)7-11-3-2-4-18-6-11/h2-6,9H,7-8H2,1H3,(H,20,22,24).

What are the key properties of 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?

2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 430.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4632868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).