(2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide

C19H25N5OS — CID 129343177

About (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide

(2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 129343177) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
• PubChem CID: 129343177
• Molecular Formula: C19H25N5OS
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.18
• IUPAC Name: (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
• SMILES: Cc1cc(NC(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)ccn1
• InChI: InChI=1S/C19H25N5OS/c1-14-11-15(3-6-20-14)22-18(25)24-8-4-19(5-9-24)12-16(19)23(2)13-17-21-7-10-26-17/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3,(H,20,22,25)/t16-/m0/s1
• InChIKey: WAYJQKQXGMKYHH-INIZCTEOSA-N
• XLogP: 3.36
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

The IUPAC name of (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide (CID 129343177) is (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide.

What is the SMILES notation for (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

The canonical SMILES for (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide is Cc1cc(NC(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)ccn1.

What is the InChIKey of (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

The InChIKey is WAYJQKQXGMKYHH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-14-11-15(3-6-20-14)22-18(25)24-8-4-19(5-9-24)12-16(19)23(2)13-17-21-7-10-26-17/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3,(H,20,22,25)/t16-/m0/s1.

What are the key properties of (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

(2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 129343177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).