2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H26N4O2S — CID 162636373

IUPAC2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(N2CCCC3(CCCN3Cc3cc(=O)n4cc(C)sc4n3)C2=O)cc1
InChIInChI=1S/C23H26N4O2S/c1-16-5-7-19(8-6-16)26-12-4-10-23(21(26)29)9-3-11-25(23)15-18-13-20(28)27-14-17(2)30-22(27)24-18/h5-8,13-14H,3-4,9-12,15H2,1-2H3
InChIKeyKCAQREWXVDTCAK-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.53
Rot. Bonds3

About 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 162636373) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID162636373
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(N2CCCC3(CCCN3Cc3cc(=O)n4cc(C)sc4n3)C2=O)cc1
InChIInChI=1S/C23H26N4O2S/c1-16-5-7-19(8-6-16)26-12-4-10-23(21(26)29)9-3-11-25(23)15-18-13-20(28)27-14-17(2)30-22(27)24-18/h5-8,13-14H,3-4,9-12,15H2,1-2H3
InChIKeyKCAQREWXVDTCAK-UHFFFAOYSA-N
XLogP3.53
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629044
7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91840836
1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627322
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
7-[[(2S)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754555
7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70718019
7-[[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754556
7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 146139449
1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629767
7-[[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136585971
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
2-methyl-7-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 162636373) is 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(N2CCCC3(CCCN3Cc3cc(=O)n4cc(C)sc4n3)C2=O)cc1.
What is the InChIKey of 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KCAQREWXVDTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-5-7-19(8-6-16)26-12-4-10-23(21(26)29)9-3-11-25(23)15-18-13-20(28)27-14-17(2)30-22(27)24-18/h5-8,13-14H,3-4,9-12,15H2,1-2H3.
What are the key properties of 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 422.55 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 162636373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).