N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H25N5O2S — CID 155875192

About N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155875192) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 155875192
• Molecular Formula: C19H25N5O2S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.17
• IUPAC Name: N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: CN(Cc1ncccn1)C(=O)C1CN(Cc2nccs2)CC12CCOCC2
• InChI: InChI=1S/C19H25N5O2S/c1-23(12-16-20-5-2-6-21-16)18(25)15-11-24(13-17-22-7-10-27-17)14-19(15)3-8-26-9-4-19/h2,5-7,10,15H,3-4,8-9,11-14H2,1H3
• InChIKey: UMEWPXAPNVCPIF-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 71.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 155875192) is N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CN(Cc1ncccn1)C(=O)C1CN(Cc2nccs2)CC12CCOCC2.

What is the InChIKey of N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is UMEWPXAPNVCPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-23(12-16-20-5-2-6-21-16)18(25)15-11-24(13-17-22-7-10-27-17)14-19(15)3-8-26-9-4-19/h2,5-7,10,15H,3-4,8-9,11-14H2,1H3.

What are the key properties of N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155875192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).