(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O2S — CID 97276892

About (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97276892) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97276892
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4csc(C)n4)C3)CCC2=O)cn1
• InChI: InChI=1S/C20H25N5O2S/c1-14-8-22-16(9-21-14)10-25-13-20(6-4-18(25)26)5-3-7-24(12-20)19(27)17-11-28-15(2)23-17/h8-9,11H,3-7,10,12-13H2,1-2H3/t20-/m0/s1
• InChIKey: SGNIWONUQJPRSN-FQEVSTJZSA-N
• XLogP: 2.59
• TPSA: 79.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97276892) is (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4csc(C)n4)C3)CCC2=O)cn1.

What is the InChIKey of (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is SGNIWONUQJPRSN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14-8-22-16(9-21-14)10-25-13-20(6-4-18(25)26)5-3-7-24(12-20)19(27)17-11-28-15(2)23-17/h8-9,11H,3-7,10,12-13H2,1-2H3/t20-/m0/s1.

What are the key properties of (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 399.52 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97276892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).