7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H19N3O2S — CID 129398378

IUPAC7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC[C@H](NCc1cc(=O)n2ccsc2n1)[C@H]1CCCO1
InChIInChI=1S/C14H19N3O2S/c1-2-11(12-4-3-6-19-12)15-9-10-8-13(18)17-5-7-20-14(17)16-10/h5,7-8,11-12,15H,2-4,6,9H2,1H3/t11-,12+/m0/s1
InChIKeyBTFRYZFNYNMUND-NWDGAFQWSA-N
MW293.39 g/mol
LogP1.80
Rot. Bonds5

About 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 129398378) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID129398378
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC[C@H](NCc1cc(=O)n2ccsc2n1)[C@H]1CCCO1
InChIInChI=1S/C14H19N3O2S/c1-2-11(12-4-3-6-19-12)15-9-10-8-13(18)17-5-7-20-14(17)16-10/h5,7-8,11-12,15H,2-4,6,9H2,1H3/t11-,12+/m0/s1
InChIKeyBTFRYZFNYNMUND-NWDGAFQWSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
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-[[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127744403
7-[[[(1R)-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2714007
7-[[[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99822634
7-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71937973
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17467898
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655248
7-[[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136586064
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168169

Frequently Asked Questions

What is the IUPAC name of 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 129398378) is 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC[C@H](NCc1cc(=O)n2ccsc2n1)[C@H]1CCCO1.
What is the InChIKey of 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BTFRYZFNYNMUND-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-11(12-4-3-6-19-12)15-9-10-8-13(18)17-5-7-20-14(17)16-10/h5,7-8,11-12,15H,2-4,6,9H2,1H3/t11-,12+/m0/s1.
What are the key properties of 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 293.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(1S)-1-[(2R)-oxolan-2-yl]propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 129398378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).