2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

C17H19N3O2S — CID 42478215

IUPAC2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-12-9-16(22)20-14(11-23-17(20)19-12)10-15(21)18-8-7-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyVVIUCRKCOPOHKS-CQSZACIVSA-N
MW329.42 g/mol
LogP1.95
Rot. Bonds5

About 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 42478215) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID42478215
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-12-9-16(22)20-14(11-23-17(20)19-12)10-15(21)18-8-7-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyVVIUCRKCOPOHKS-CQSZACIVSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546542
N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868636
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941
N-[4-(dimethylamino)phenyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867958
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478257
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868854
7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867885
2-[6-(4-methylphenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 16860946
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 16869221
N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868246
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90545045

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide (CID 42478215) is 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide is Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VVIUCRKCOPOHKS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-9-16(22)20-14(11-23-17(20)19-12)10-15(21)18-8-7-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 329.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 42478215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).