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

C8H9N3OS — CID 127002284

IUPAC7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCNCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H9N3OS/c1-9-5-6-4-7(12)11-2-3-13-8(11)10-6/h2-4,9H,5H2,1H3
InChIKeyIGJVTRWPMLLFQD-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.48
Rot. Bonds2

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

7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 127002284) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID127002284
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCNCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H9N3OS/c1-9-5-6-4-7(12)11-2-3-13-8(11)10-6/h2-4,9H,5H2,1H3
InChIKeyIGJVTRWPMLLFQD-UHFFFAOYSA-N
XLogP0.48
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 78795438
7-[[[(1R)-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2714007
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961
7-[(2-benzylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47013557
7-[[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8834228
7-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71937973
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168169
7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
7-[(4-bromo-2-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46678180
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655248
7-[[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127744403

Frequently Asked Questions

What is the IUPAC name of 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 127002284) is 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CNCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IGJVTRWPMLLFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-9-5-6-4-7(12)11-2-3-13-8(11)10-6/h2-4,9H,5H2,1H3.
What are the key properties of 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 127002284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).