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

C17H19N3O3S — CID 16868178

IUPACN-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCOc1cccc(CNC(=O)CC2CSc3ncc(C)c(=O)n32)c1
InChIInChI=1S/C17H19N3O3S/c1-11-8-19-17-20(16(11)22)13(10-24-17)7-15(21)18-9-12-4-3-5-14(6-12)23-2/h3-6,8,13H,7,9-10H2,1-2H3,(H,18,21)
InChIKeyVUAYMJLNRGOMAL-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.91
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868178) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868178
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCOc1cccc(CNC(=O)CC2CSc3ncc(C)c(=O)n32)c1
InChIInChI=1S/C17H19N3O3S/c1-11-8-19-17-20(16(11)22)13(10-24-17)7-15(21)18-9-12-4-3-5-14(6-12)23-2/h3-6,8,13H,7,9-10H2,1-2H3,(H,18,21)
InChIKeyVUAYMJLNRGOMAL-UHFFFAOYSA-N
XLogP1.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868178) is N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is COc1cccc(CNC(=O)CC2CSc3ncc(C)c(=O)n32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is VUAYMJLNRGOMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-8-19-17-20(16(11)22)13(10-24-17)7-15(21)18-9-12-4-3-5-14(6-12)23-2/h3-6,8,13H,7,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).