5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C23H25N5O4S — CID 46330924

About 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330924) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46330924
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• SMILES: Cc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)CC2)o1
• InChI: InChI=1S/C23H25N5O4S/c1-15-7-8-18(32-15)14-24-19(29)13-16-9-11-28(12-10-16)23(31)22-27-26-21(33-22)20(30)25-17-5-3-2-4-6-17/h2-8,16H,9-14H2,1H3,(H,24,29)(H,25,30)
• InChIKey: WQYMZVQXVSEECQ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46330924) is 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)CC2)o1.

What is the InChIKey of 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is WQYMZVQXVSEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-15-7-8-18(32-15)14-24-19(29)13-16-9-11-28(12-10-16)23(31)22-27-26-21(33-22)20(30)25-17-5-3-2-4-6-17/h2-8,16H,9-14H2,1H3,(H,24,29)(H,25,30).

What are the key properties of 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).