2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C22H23N5O2S2 — CID 71142247

About 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71142247) has the molecular formula C22H23N5O2S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 71142247
• Molecular Formula: C22H23N5O2S2
• Molecular Weight: 453.59 g/mol
• Exact Mass: 453.13
• IUPAC Name: 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(C(=O)N3CCC3)s2)n1
• InChI: InChI=1S/C22H23N5O2S2/c28-20(24-15-4-1-2-5-17(15)26-12-8-23-9-13-26)16-14-30-21(25-16)18-6-7-19(31-18)22(29)27-10-3-11-27/h1-2,4-7,14,23H,3,8-13H2,(H,24,28)
• InChIKey: ONUZJJHQHLWZSN-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.59
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 71142247) is 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(C(=O)N3CCC3)s2)n1.

What is the InChIKey of 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is ONUZJJHQHLWZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S2/c28-20(24-15-4-1-2-5-17(15)26-12-8-23-9-13-26)16-14-30-21(25-16)18-6-7-19(31-18)22(29)27-10-3-11-27/h1-2,4-7,14,23H,3,8-13H2,(H,24,28).

What are the key properties of 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(azetidine-1-carbonyl)thiophen-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71142247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).