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

C18H23N3OS — CID 7666434

IUPAC7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNC34CC5CC(CC(C5)C3)C4)cc(=O)n12
InChIInChI=1S/C18H23N3OS/c1-11-10-23-17-20-15(5-16(22)21(11)17)9-19-18-6-12-2-13(7-18)4-14(3-12)8-18/h5,10,12-14,19H,2-4,6-9H2,1H3
InChIKeyJWVGCYRTRUDMIK-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.12
Rot. Bonds3

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

7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7666434) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7666434
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNC34CC5CC(CC(C5)C3)C4)cc(=O)n12
InChIInChI=1S/C18H23N3OS/c1-11-10-23-17-20-15(5-16(22)21(11)17)9-19-18-6-12-2-13(7-18)4-14(3-12)8-18/h5,10,12-14,19H,2-4,6-9H2,1H3
InChIKeyJWVGCYRTRUDMIK-UHFFFAOYSA-N
XLogP3.12
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7666434) is 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CNC34CC5CC(CC(C5)C3)C4)cc(=O)n12.
What is the InChIKey of 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JWVGCYRTRUDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-11-10-23-17-20-15(5-16(22)21(11)17)9-19-18-6-12-2-13(7-18)4-14(3-12)8-18/h5,10,12-14,19H,2-4,6-9H2,1H3.
What are the key properties of 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 329.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7666434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).