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

C17H21N3OS — CID 7536827

IUPAC7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNC23CC4CC(CC(C4)C2)C3)nc2sccn12
InChIInChI=1S/C17H21N3OS/c21-15-6-14(19-16-20(15)1-2-22-16)10-18-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,18H,3-5,7-10H2
InChIKeyZJSNXPGYHSUYIL-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.81
Rot. Bonds3

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

7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7536827) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7536827
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNC23CC4CC(CC(C4)C2)C3)nc2sccn12
InChIInChI=1S/C17H21N3OS/c21-15-6-14(19-16-20(15)1-2-22-16)10-18-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,18H,3-5,7-10H2
InChIKeyZJSNXPGYHSUYIL-UHFFFAOYSA-N
XLogP2.81
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.81
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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7536827) is 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNC23CC4CC(CC(C4)C2)C3)nc2sccn12.
What is the InChIKey of 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZJSNXPGYHSUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-15-6-14(19-16-20(15)1-2-22-16)10-18-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,18H,3-5,7-10H2.
What are the key properties of 7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(1-adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 315.44 g/mol, XLogP of 2.81, 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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7536827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).