6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C19H23N3O2S3 — CID 126465687

About 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126465687) has the molecular formula C19H23N3O2S3 and a molecular weight of 421.61 g/mol. Its IUPAC name is 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 126465687
• Molecular Formula: C19H23N3O2S3
• Molecular Weight: 421.61 g/mol
• Exact Mass: 421.10
• IUPAC Name: 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cc1csc(SCC(=O)N2CCC3(CC2)CC3C(=O)NCc2cccs2)n1
• InChI: InChI=1S/C19H23N3O2S3/c1-13-11-26-18(21-13)27-12-16(23)22-6-4-19(5-7-22)9-15(19)17(24)20-10-14-3-2-8-25-14/h2-3,8,11,15H,4-7,9-10,12H2,1H3,(H,20,24)
• InChIKey: WYTOTUGDIJFXHQ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.61
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126465687) is 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1csc(SCC(=O)N2CCC3(CC2)CC3C(=O)NCc2cccs2)n1.

What is the InChIKey of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is WYTOTUGDIJFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S3/c1-13-11-26-18(21-13)27-12-16(23)22-6-4-19(5-7-22)9-15(19)17(24)20-10-14-3-2-8-25-14/h2-3,8,11,15H,4-7,9-10,12H2,1H3,(H,20,24).

What are the key properties of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126465687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).