(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide

C22H24N4O2S2 — CID 42458008

About (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide

(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide (PubChem CID 42458008) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide
• PubChem CID: 42458008
• Molecular Formula: C22H24N4O2S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.13
• IUPAC Name: (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide
• SMILES: Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cccs3)c2)s1
• InChI: InChI=1S/C22H24N4O2S2/c1-15-24-25-22(30-15)16-6-4-7-17(14-16)23-21(28)19-9-2-3-12-26(19)20(27)11-10-18-8-5-13-29-18/h4-8,13-14,19H,2-3,9-12H2,1H3,(H,23,28)/t19-/m0/s1
• InChIKey: KMNTZNTUXRGKNX-IBGZPJMESA-N
• XLogP: 4.53
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide?

The IUPAC name of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide (CID 42458008) is (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide?

The canonical SMILES for (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide is Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cccs3)c2)s1.

What is the InChIKey of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide?

The InChIKey is KMNTZNTUXRGKNX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-24-25-22(30-15)16-6-4-7-17(14-16)23-21(28)19-9-2-3-12-26(19)20(27)11-10-18-8-5-13-29-18/h4-8,13-14,19H,2-3,9-12H2,1H3,(H,23,28)/t19-/m0/s1.

What are the key properties of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide?

(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 42458008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).