N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H27N3O3S2 — CID 45169030

About N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45169030) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45169030
• Molecular Formula: C25H27N3O3S2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.15
• IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1cccc(CCNC(=O)C2CC23CCN(C(=O)c2csc(-c4cccs4)n2)CC3)c1
• InChI: InChI=1S/C25H27N3O3S2/c1-31-18-5-2-4-17(14-18)7-10-26-22(29)19-15-25(19)8-11-28(12-9-25)24(30)20-16-33-23(27-20)21-6-3-13-32-21/h2-6,13-14,16,19H,7-12,15H2,1H3,(H,26,29)
• InChIKey: LOWADLUJRCTEJN-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45169030) is N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1cccc(CCNC(=O)C2CC23CCN(C(=O)c2csc(-c4cccs4)n2)CC3)c1.

What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is LOWADLUJRCTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-31-18-5-2-4-17(14-18)7-10-26-22(29)19-15-25(19)8-11-28(12-9-25)24(30)20-16-33-23(27-20)21-6-3-13-32-21/h2-6,13-14,16,19H,7-12,15H2,1H3,(H,26,29).

What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?

N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)ethyl]-6-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45169030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).