(3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone

C17H22N4OS2 — CID 128991705

About (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone

(3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 128991705) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
• PubChem CID: 128991705
• Molecular Formula: C17H22N4OS2
• Molecular Weight: 362.52 g/mol
• Exact Mass: 362.12
• IUPAC Name: (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
• SMILES: Cc1nscc1C(=O)N1CCC2(CC1)CC2N(C)Cc1nccs1
• InChI: InChI=1S/C17H22N4OS2/c1-12-13(11-24-19-12)16(22)21-6-3-17(4-7-21)9-14(17)20(2)10-15-18-5-8-23-15/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3
• InChIKey: PXAAYLIHVGGSPR-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.52
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

The IUPAC name of (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone (CID 128991705) is (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone.

What is the SMILES notation for (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

The canonical SMILES for (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone is Cc1nscc1C(=O)N1CCC2(CC1)CC2N(C)Cc1nccs1.

What is the InChIKey of (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

The InChIKey is PXAAYLIHVGGSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c1-12-13(11-24-19-12)16(22)21-6-3-17(4-7-21)9-14(17)20(2)10-15-18-5-8-23-15/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3.

What are the key properties of (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

(3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 362.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 128991705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).