4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

C16H20N4O2S2 — CID 167909529

IUPAC4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1csc2nc(CN3CCC4(CC3)SCC(=O)N4C)cc(=O)n12
InChIInChI=1S/C16H20N4O2S2/c1-11-9-23-15-17-12(7-13(21)20(11)15)8-19-5-3-16(4-6-19)18(2)14(22)10-24-16/h7,9H,3-6,8,10H2,1-2H3
InChIKeyMSPMTKBUMKXINQ-UHFFFAOYSA-N
MW364.50 g/mol
LogP1.56
Rot. Bonds2

About 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 167909529) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID167909529
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1csc2nc(CN3CCC4(CC3)SCC(=O)N4C)cc(=O)n12
InChIInChI=1S/C16H20N4O2S2/c1-11-9-23-15-17-12(7-13(21)20(11)15)8-19-5-3-16(4-6-19)18(2)14(22)10-24-16/h7,9H,3-6,8,10H2,1-2H3
InChIKeyMSPMTKBUMKXINQ-UHFFFAOYSA-N
XLogP1.56
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 167909529) is 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one is Cc1csc2nc(CN3CCC4(CC3)SCC(=O)N4C)cc(=O)n12.
What is the InChIKey of 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MSPMTKBUMKXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-11-9-23-15-17-12(7-13(21)20(11)15)8-19-5-3-16(4-6-19)18(2)14(22)10-24-16/h7,9H,3-6,8,10H2,1-2H3.
What are the key properties of 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 364.50 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 167909529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).