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

C18H23N3OS2 — CID 129476463

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

[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 129476463) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
• PubChem CID: 129476463
• Molecular Formula: C18H23N3OS2
• Molecular Weight: 361.54 g/mol
• Exact Mass: 361.13
• IUPAC Name: [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
• SMILES: Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1
• InChI: InChI=1S/C18H23N3OS2/c1-13-3-9-24-16(13)17(22)21-7-4-18(5-8-21)11-14(18)20(2)12-15-19-6-10-23-15/h3,6,9-10,14H,4-5,7-8,11-12H2,1-2H3/t14-/m0/s1
• InChIKey: QWUOPEYXHJDNAT-AWEZNQCLSA-N
• XLogP: 3.64
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.54
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone (CID 129476463) is [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone.

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

The canonical SMILES for [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1.

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

The InChIKey is QWUOPEYXHJDNAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-13-3-9-24-16(13)17(22)21-7-4-18(5-8-21)11-14(18)20(2)12-15-19-6-10-23-15/h3,6,9-10,14H,4-5,7-8,11-12H2,1-2H3/t14-/m0/s1.

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

[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 361.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 129476463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).