N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C24H27N3OS2 — CID 71142462

About N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71142462) has the molecular formula C24H27N3OS2 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 71142462
• Molecular Formula: C24H27N3OS2
• Molecular Weight: 437.63 g/mol
• Exact Mass: 437.16
• IUPAC Name: N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cccs2)n1
• InChI: InChI=1S/C24H27N3OS2/c28-22(19-17-30-23(26-19)21-9-6-16-29-21)25-18-7-2-3-8-20(18)27-14-12-24(13-15-27)10-4-1-5-11-24/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,25,28)
• InChIKey: OPBSJBATLXJWJT-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.63
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 71142462) is N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cccs2)n1.

What is the InChIKey of N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is OPBSJBATLXJWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS2/c28-22(19-17-30-23(26-19)21-9-6-16-29-21)25-18-7-2-3-8-20(18)27-14-12-24(13-15-27)10-4-1-5-11-24/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,25,28).

What are the key properties of N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 437.63 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71142462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).