5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine

C17H17N5OS4 — CID 18284385

About 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine

5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 18284385) has the molecular formula C17H17N5OS4 and a molecular weight of 435.63 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 18284385
• Molecular Formula: C17H17N5OS4
• Molecular Weight: 435.63 g/mol
• Exact Mass: 435.03
• IUPAC Name: 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
• SMILES: COCCNc1nnc(Sc2nc(-c3cccs3)nc3sc(C)c(C)c23)s1
• InChI: InChI=1S/C17H17N5OS4/c1-9-10(2)25-14-12(9)15(20-13(19-14)11-5-4-8-24-11)26-17-22-21-16(27-17)18-6-7-23-3/h4-5,8H,6-7H2,1-3H3,(H,18,21)
• InChIKey: WCQNEBHNKUNUCR-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 72.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.63
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine (CID 18284385) is 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine is COCCNc1nnc(Sc2nc(-c3cccs3)nc3sc(C)c(C)c23)s1.

What is the InChIKey of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?

The InChIKey is WCQNEBHNKUNUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS4/c1-9-10(2)25-14-12(9)15(20-13(19-14)11-5-4-8-24-11)26-17-22-21-16(27-17)18-6-7-23-3/h4-5,8H,6-7H2,1-3H3,(H,18,21).

What are the key properties of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?

5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 435.63 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18284385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).