5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid

C13H14N2O4S — CID 79402513

IUPAC5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2snc(C)c2C(=O)O)c(OC)c1
InChIInChI=1S/C13H14N2O4S/c1-7-11(13(16)17)12(20-15-7)14-9-5-4-8(18-2)6-10(9)19-3/h4-6,14H,1-3H3,(H,16,17)
InChIKeyRETVQUYBWKYZBU-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.91
Rot. Bonds5

About 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid

5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402513) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402513
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2snc(C)c2C(=O)O)c(OC)c1
InChIInChI=1S/C13H14N2O4S/c1-7-11(13(16)17)12(20-15-7)14-9-5-4-8(18-2)6-10(9)19-3/h4-6,14H,1-3H3,(H,16,17)
InChIKeyRETVQUYBWKYZBU-UHFFFAOYSA-N
XLogP2.91
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402049
5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 115413519
3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328
5-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397195
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
ethyl 5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79371007
5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403075
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401895
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135412294
(2,4-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619968
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402513) is 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid is COc1ccc(Nc2snc(C)c2C(=O)O)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is RETVQUYBWKYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-7-11(13(16)17)12(20-15-7)14-9-5-4-8(18-2)6-10(9)19-3/h4-6,14H,1-3H3,(H,16,17).
What are the key properties of 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).