2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide

C19H23N3O2S — CID 16869213

IUPAC2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)NC(C)c1ccccc1)CS2
InChIInChI=1S/C19H23N3O2S/c1-4-16-13(3)21-19-22(18(16)24)15(11-25-19)10-17(23)20-12(2)14-8-6-5-7-9-14/h5-9,12,15H,4,10-11H2,1-3H3,(H,20,23)
InChIKeyUIEWPDKRHYIGFT-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.03
Rot. Bonds5

About 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide

2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 16869213) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID16869213
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)NC(C)c1ccccc1)CS2
InChIInChI=1S/C19H23N3O2S/c1-4-16-13(3)21-19-22(18(16)24)15(11-25-19)10-17(23)20-12(2)14-8-6-5-7-9-14/h5-9,12,15H,4,10-11H2,1-3H3,(H,20,23)
InChIKeyUIEWPDKRHYIGFT-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 16869311
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
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
N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478302
N-(2,5-dimethylphenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868331
2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 42478215
N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868298
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 16869109
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868854
N-(3-methylbutyl)-2-[(12S)-2-oxo-6-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetamide
CID 42476864
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119795
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide (CID 16869213) is 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide is CCc1c(C)nc2n(c1=O)C(CC(=O)NC(C)c1ccccc1)CS2.
What is the InChIKey of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is UIEWPDKRHYIGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-16-13(3)21-19-22(18(16)24)15(11-25-19)10-17(23)20-12(2)14-8-6-5-7-9-14/h5-9,12,15H,4,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 16869213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).