N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C19H20ClN5OS — CID 20889395

About N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20889395) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 20889395
• Molecular Formula: C19H20ClN5OS
• Molecular Weight: 401.92 g/mol
• Exact Mass: 401.11
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccc1Cl)C1CCCN(c2nnc(-n3cccc3)s2)C1
• InChI: InChI=1S/C19H20ClN5OS/c20-16-8-2-1-6-14(16)12-21-17(26)15-7-5-11-25(13-15)19-23-22-18(27-19)24-9-3-4-10-24/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,26)
• InChIKey: GIDNYWLJKFJDMJ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.92
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 20889395) is N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CCCN(c2nnc(-n3cccc3)s2)C1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is GIDNYWLJKFJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c20-16-8-2-1-6-14(16)12-21-17(26)15-7-5-11-25(13-15)19-23-22-18(27-19)24-9-3-4-10-24/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,26).

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

N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20889395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).