2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C19H23N3O5S — CID 16868377

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23N3O5S/c1-5-11-8-17(24)22-13(10-28-19(22)21-11)9-16(23)20-12-6-14(25-2)18(27-4)15(7-12)26-3/h6-8,13H,5,9-10H2,1-4H3,(H,20,23)
InChIKeyYFUYCOUGDONAGZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.51
Rot. Bonds7

About 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 16868377) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID16868377
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23N3O5S/c1-5-11-8-17(24)22-13(10-28-19(22)21-11)9-16(23)20-12-6-14(25-2)18(27-4)15(7-12)26-3/h6-8,13H,5,9-10H2,1-4H3,(H,20,23)
InChIKeyYFUYCOUGDONAGZ-UHFFFAOYSA-N
XLogP2.51
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
CID 16868288
N-(2,5-dimethylphenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868331
N-(3,4-dimethylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868522
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941
4-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16868574
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431
2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
CID 16868544
N-(4-acetamidophenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868762
N-(5-chloro-2-methoxyphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868728
7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868208
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868558
N-[4-(dimethylamino)phenyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867958

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 16868377) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YFUYCOUGDONAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-5-11-8-17(24)22-13(10-28-19(22)21-11)9-16(23)20-12-6-14(25-2)18(27-4)15(7-12)26-3/h6-8,13H,5,9-10H2,1-4H3,(H,20,23).
What are the key properties of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 16868377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).