N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

C22H23N5O2S — CID 20906863

About N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 20906863) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 20906863
• Molecular Formula: C22H23N5O2S
• Molecular Weight: 421.53 g/mol
• Exact Mass: 421.16
• IUPAC Name: N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccco5)CC4)sc3n2)cc1
• InChI: InChI=1S/C22H23N5O2S/c1-15-4-6-16(7-5-15)19-14-27-21(24-19)30-22(25-27)26-10-8-17(9-11-26)20(28)23-13-18-3-2-12-29-18/h2-7,12,14,17H,8-11,13H2,1H3,(H,23,28)
• InChIKey: UAEDGZZHRRAZEF-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 75.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.53
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (CID 20906863) is N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccco5)CC4)sc3n2)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is UAEDGZZHRRAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-4-6-16(7-5-15)19-14-27-21(24-19)30-22(25-27)26-10-8-17(9-11-26)20(28)23-13-18-3-2-12-29-18/h2-7,12,14,17H,8-11,13H2,1H3,(H,23,28).

What are the key properties of N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?

N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20906863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).