(2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H31N3OS — CID 42369897

About (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42369897) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42369897
• Molecular Formula: C24H31N3OS
• Molecular Weight: 409.60 g/mol
• Exact Mass: 409.22
• IUPAC Name: (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1nccs1)CC2
• InChI: InChI=1S/C24H31N3OS/c28-22(26-18-24(8-4-5-9-24)19-6-2-1-3-7-19)20-16-23(20)10-13-27(14-11-23)17-21-25-12-15-29-21/h1-3,6-7,12,15,20H,4-5,8-11,13-14,16-18H2,(H,26,28)/t20-/m1/s1
• InChIKey: OBNYUDHLVINVTM-HXUWFJFHSA-N
• XLogP: 4.37
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.60
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42369897) is (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1nccs1)CC2.

What is the InChIKey of (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is OBNYUDHLVINVTM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31N3OS/c28-22(26-18-24(8-4-5-9-24)19-6-2-1-3-7-19)20-16-23(20)10-13-27(14-11-23)17-21-25-12-15-29-21/h1-3,6-7,12,15,20H,4-5,8-11,13-14,16-18H2,(H,26,28)/t20-/m1/s1.

What are the key properties of (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

(2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 409.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42369897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).