N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C23H25N3O3S2 — CID 55556644

About N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55556644) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
• PubChem CID: 55556644
• Molecular Formula: C23H25N3O3S2
• Molecular Weight: 455.61 g/mol
• Exact Mass: 455.13
• IUPAC Name: N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
• SMILES: CCCOc1ccc(-c2csc(NC(=O)C3CCCN(C(=O)c4cccs4)C3)n2)cc1
• InChI: InChI=1S/C23H25N3O3S2/c1-2-12-29-18-9-7-16(8-10-18)19-15-31-23(24-19)25-21(27)17-5-3-11-26(14-17)22(28)20-6-4-13-30-20/h4,6-10,13,15,17H,2-3,5,11-12,14H2,1H3,(H,24,25,27)
• InChIKey: XOLGMSQJUCEIPN-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.61
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55556644) is N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCCOc1ccc(-c2csc(NC(=O)C3CCCN(C(=O)c4cccs4)C3)n2)cc1.

What is the InChIKey of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The InChIKey is XOLGMSQJUCEIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-2-12-29-18-9-7-16(8-10-18)19-15-31-23(24-19)25-21(27)17-5-3-11-26(14-17)22(28)20-6-4-13-30-20/h4,6-10,13,15,17H,2-3,5,11-12,14H2,1H3,(H,24,25,27).

What are the key properties of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55556644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).