3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H10F3N5OS3 — CID 11957284

About 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11957284) has the molecular formula C16H10F3N5OS3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 11957284
• Molecular Formula: C16H10F3N5OS3
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.00
• IUPAC Name: 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1
• InChI: InChI=1S/C16H10F3N5OS3/c1-6-23-24-15(27-6)22-13(25)12-11(20)10-7(16(17,18)19)5-8(21-14(10)28-12)9-3-2-4-26-9/h2-5H,20H2,1H3,(H,22,24,25)
• InChIKey: AYVAMSONWXATIR-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 11957284) is 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1.

What is the InChIKey of 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is AYVAMSONWXATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5OS3/c1-6-23-24-15(27-6)22-13(25)12-11(20)10-7(16(17,18)19)5-8(21-14(10)28-12)9-3-2-4-26-9/h2-5H,20H2,1H3,(H,22,24,25).

What are the key properties of 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11957284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).