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

C18H16F3N5O2S2 — CID 55958755

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

1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55958755) has the molecular formula C18H16F3N5O2S2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 55958755
• Molecular Formula: C18H16F3N5O2S2
• Molecular Weight: 455.49 g/mol
• Exact Mass: 455.07
• IUPAC Name: 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• SMILES: Cc1c(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C18H16F3N5O2S2/c1-9-11-2-3-12(18(19,20)21)23-15(11)30-13(9)16(28)26-6-4-10(5-7-26)14(27)24-17-25-22-8-29-17/h2-3,8,10H,4-7H2,1H3,(H,24,25,27)
• InChIKey: FVMQUHOGLMHVLM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 55958755) is 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is Cc1c(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)sc2nc(C(F)(F)F)ccc12.

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

The InChIKey is FVMQUHOGLMHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S2/c1-9-11-2-3-12(18(19,20)21)23-15(11)30-13(9)16(28)26-6-4-10(5-7-26)14(27)24-17-25-22-8-29-17/h2-3,8,10H,4-7H2,1H3,(H,24,25,27).

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

1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55958755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).