2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C13H17N3O3S — CID 42478069

IUPAC2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(C[C@@H]1CSc2nccc(=O)n21)NC[C@@H]1CCCO1
InChIInChI=1S/C13H17N3O3S/c17-11(15-7-10-2-1-5-19-10)6-9-8-20-13-14-4-3-12(18)16(9)13/h3-4,9-10H,1-2,5-8H2,(H,15,17)/t9-,10+/m1/s1
InChIKeyZTEPIJFKCSWPGA-ZJUUUORDSA-N
MW295.36 g/mol
LogP0.58
Rot. Bonds4

About 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 42478069) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID42478069
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(C[C@@H]1CSc2nccc(=O)n21)NC[C@@H]1CCCO1
InChIInChI=1S/C13H17N3O3S/c17-11(15-7-10-2-1-5-19-10)6-9-8-20-13-14-4-3-12(18)16(9)13/h3-4,9-10H,1-2,5-8H2,(H,15,17)/t9-,10+/m1/s1
InChIKeyZTEPIJFKCSWPGA-ZJUUUORDSA-N
XLogP0.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51530460
3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867716
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 90546887
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95099415
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51499478
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 42478069) is 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(C[C@@H]1CSc2nccc(=O)n21)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ZTEPIJFKCSWPGA-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11(15-7-10-2-1-5-19-10)6-9-8-20-13-14-4-3-12(18)16(9)13/h3-4,9-10H,1-2,5-8H2,(H,15,17)/t9-,10+/m1/s1.
What are the key properties of 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 42478069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).