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

C19H24N4OS — CID 97397074

IUPAC8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(c2ncccc2C)CC3)cs1
InChIInChI=1S/C19H24N4OS/c1-14-4-3-9-20-18(14)22-10-7-19(8-11-22)6-5-17(24)23(19)12-16-13-25-15(2)21-16/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKeyZVGXVOPJDXLLKO-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.32
Rot. Bonds3

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

8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397074) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397074
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(c2ncccc2C)CC3)cs1
InChIInChI=1S/C19H24N4OS/c1-14-4-3-9-20-18(14)22-10-7-19(8-11-22)6-5-17(24)23(19)12-16-13-25-15(2)21-16/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKeyZVGXVOPJDXLLKO-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97397074) is 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)CCC23CCN(c2ncccc2C)CC3)cs1.
What is the InChIKey of 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZVGXVOPJDXLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-4-3-9-20-18(14)22-10-7-19(8-11-22)6-5-17(24)23(19)12-16-13-25-15(2)21-16/h3-4,9,13H,5-8,10-12H2,1-2H3.
What are the key properties of 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 356.50 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-2-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).