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

C11H15N3O2S — CID 62332981

IUPAC7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(O)CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H15N3O2S/c1-8(15)6-13(2)7-9-5-10(16)14-3-4-17-11(14)12-9/h3-5,8,15H,6-7H2,1-2H3
InChIKeyAGUXOQIPJHUYHE-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.57
Rot. Bonds4

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

7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 62332981) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID62332981
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(O)CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H15N3O2S/c1-8(15)6-13(2)7-9-5-10(16)14-3-4-17-11(14)12-9/h3-5,8,15H,6-7H2,1-2H3
InChIKeyAGUXOQIPJHUYHE-UHFFFAOYSA-N
XLogP0.57
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid
CID 60840671
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119928870
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119915215
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9338173
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51655644
7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754286
7-[[methyl-(4-methylcyclohexyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47113217

Frequently Asked Questions

What is the IUPAC name of 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 62332981) is 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(O)CN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AGUXOQIPJHUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(15)6-13(2)7-9-5-10(16)14-3-4-17-11(14)12-9/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 253.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 62332981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).