N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide

C19H24ClN5O2S — CID 46354717

About N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46354717) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46354717
• Molecular Formula: C19H24ClN5O2S
• Molecular Weight: 421.95 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCCC1
• InChI: InChI=1S/C19H24ClN5O2S/c20-14-5-4-6-15(13-14)22-18(27)19-24-23-17(28-19)8-7-16(26)21-9-12-25-10-2-1-3-11-25/h4-6,13H,1-3,7-12H2,(H,21,26)(H,22,27)
• InChIKey: HTAGRZFABZZDCA-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.95
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide (CID 46354717) is N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide is O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCCC1.

What is the InChIKey of N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is HTAGRZFABZZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c20-14-5-4-6-15(13-14)22-18(27)19-24-23-17(28-19)8-7-16(26)21-9-12-25-10-2-1-3-11-25/h4-6,13H,1-3,7-12H2,(H,21,26)(H,22,27).

What are the key properties of N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?

N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 421.95 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46354717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).