N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide

C18H24N6OS — CID 135301917

About N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide

N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide (PubChem CID 135301917) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

• Compound Name: N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide
• PubChem CID: 135301917
• Molecular Formula: C18H24N6OS
• Molecular Weight: 372.50 g/mol
• Exact Mass: 372.17
• IUPAC Name: N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide
• SMILES: Cc1cc(N2CCC3(CCN(Cc4cnc(NC=O)s4)C3)C2)nc(C)n1
• InChI: InChI=1S/C18H24N6OS/c1-13-7-16(22-14(2)21-13)24-6-4-18(11-24)3-5-23(10-18)9-15-8-19-17(26-15)20-12-25/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,20,25)
• InChIKey: XNHPGEPYPIYTEN-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.50
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide?

The IUPAC name of N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide (CID 135301917) is N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide.

What is the SMILES notation for N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide?

The canonical SMILES for N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide is Cc1cc(N2CCC3(CCN(Cc4cnc(NC=O)s4)C3)C2)nc(C)n1.

What is the InChIKey of N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide?

The InChIKey is XNHPGEPYPIYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-13-7-16(22-14(2)21-13)24-6-4-18(11-24)3-5-23(10-18)9-15-8-19-17(26-15)20-12-25/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,20,25).

What are the key properties of N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide?

N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide has a molecular weight of 372.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 135301917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).