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

C14H19N3O3S — CID 51530460

IUPAC2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cnc2n(c1=O)[C@H](CC(=O)NC[C@H]1CCCO1)CS2
InChIInChI=1S/C14H19N3O3S/c1-9-6-16-14-17(13(9)19)10(8-21-14)5-12(18)15-7-11-3-2-4-20-11/h6,10-11H,2-5,7-8H2,1H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyUCIKSRQITKYECZ-GHMZBOCLSA-N
MW309.39 g/mol
LogP0.88
Rot. Bonds4

About 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

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 (PubChem CID 51530460) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID51530460
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cnc2n(c1=O)[C@H](CC(=O)NC[C@H]1CCCO1)CS2
InChIInChI=1S/C14H19N3O3S/c1-9-6-16-14-17(13(9)19)10(8-21-14)5-12(18)15-7-11-3-2-4-20-11/h6,10-11H,2-5,7-8H2,1H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyUCIKSRQITKYECZ-GHMZBOCLSA-N
XLogP0.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868102
N-(3,5-dimethylphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868146
2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 51511934
N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868121
N-(3-bromophenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868114
N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478334
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546173
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 97104676
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(oxolan-2-ylmethyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827563
2,3-dimethyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564223

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2n(c1=O)[C@H](CC(=O)NC[C@H]1CCCO1)CS2.
What is the InChIKey of 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?
The InChIKey is UCIKSRQITKYECZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-6-16-14-17(13(9)19)10(8-21-14)5-12(18)15-7-11-3-2-4-20-11/h6,10-11H,2-5,7-8H2,1H3,(H,15,18)/t10-,11-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 309.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51530460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).