7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H23N3OS — CID 22194411

IUPAC7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1cc(=O)n2ccsc2n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3OS/c1-20(11-15-7-16(22)21-2-3-23-17(21)19-15)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-11H2,1H3
InChIKeyQNDZZRXPNOVHFK-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.16
Rot. Bonds3

About 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 22194411) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID22194411
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1cc(=O)n2ccsc2n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3OS/c1-20(11-15-7-16(22)21-2-3-23-17(21)19-15)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-11H2,1H3
InChIKeyQNDZZRXPNOVHFK-UHFFFAOYSA-N
XLogP3.16
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 22194411) is 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(Cc1cc(=O)n2ccsc2n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QNDZZRXPNOVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-20(11-15-7-16(22)21-2-3-23-17(21)19-15)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-11H2,1H3.
What are the key properties of 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 329.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 22194411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).