(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C19H24N4OS — CID 97469562

About (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469562) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 97469562
• Molecular Formula: C19H24N4OS
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.17
• IUPAC Name: (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
• SMILES: Cc1nc(CN2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3C)cs1
• InChI: InChI=1S/C19H24N4OS/c1-14-21-16(13-25-14)12-23-8-5-19(6-9-23)10-17(18(24)22(19)2)15-4-3-7-20-11-15/h3-4,7,11,13,17H,5-6,8-10,12H2,1-2H3/t17-/m1/s1
• InChIKey: MWTOKNWKVSUQJN-QGZVFWFLSA-N
• XLogP: 2.83
• TPSA: 49.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.50
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469562) is (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3C)cs1.

What is the InChIKey of (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is MWTOKNWKVSUQJN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-21-16(13-25-14)12-23-8-5-19(6-9-23)10-17(18(24)22(19)2)15-4-3-7-20-11-15/h3-4,7,11,13,17H,5-6,8-10,12H2,1-2H3/t17-/m1/s1.

What are the key properties of (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 356.50 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).