2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide

C16H15N3O4S — CID 166273173

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3conc3C)cs2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-9-11(7-23-19-9)17-15(20)12-8-24-16(18-12)10-4-5-13(21-2)14(6-10)22-3/h4-8H,1-3H3,(H,17,20)
InChIKeyWYDWMZICXMYXFF-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.38
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 166273173) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID166273173
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3conc3C)cs2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-9-11(7-23-19-9)17-15(20)12-8-24-16(18-12)10-4-5-13(21-2)14(6-10)22-3/h4-8H,1-3H3,(H,17,20)
InChIKeyWYDWMZICXMYXFF-UHFFFAOYSA-N
XLogP3.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3-methylpyridazin-4-yl)-1,3-thiazole-4-carboxamide
CID 166210953
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-(3-carbamoyl-4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46423829
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 8561370
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 34429840
2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 18204947

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide (CID 166273173) is 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3conc3C)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WYDWMZICXMYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-9-11(7-23-19-9)17-15(20)12-8-24-16(18-12)10-4-5-13(21-2)14(6-10)22-3/h4-8H,1-3H3,(H,17,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 3.38, 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-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166273173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).