2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C18H19N3O4S — CID 16933587

IUPAC2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-10-9-26-18-19-11(2)16(17(23)21(10)18)20-15(22)8-12-5-6-13(24-3)14(7-12)25-4/h5-7,9H,8H2,1-4H3,(H,20,22)
InChIKeyUVVSZRCWPQTYAR-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.57
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 16933587) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID16933587
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-10-9-26-18-19-11(2)16(17(23)21(10)18)20-15(22)8-12-5-6-13(24-3)14(7-12)25-4/h5-7,9H,8H2,1-4H3,(H,20,22)
InChIKeyUVVSZRCWPQTYAR-UHFFFAOYSA-N
XLogP2.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
CID 53019406
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 122356063
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
N-(5,6-dimethylpyridazin-3-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 136525992
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 16933587) is 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is COc1ccc(CC(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is UVVSZRCWPQTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10-9-26-18-19-11(2)16(17(23)21(10)18)20-15(22)8-12-5-6-13(24-3)14(7-12)25-4/h5-7,9H,8H2,1-4H3,(H,20,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 16933587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).