5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid

C14H14N2O4S — CID 106697276

IUPAC5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(N(C)c2nc(C(=O)O)c(C(C)=O)s2)cc1
InChIInChI=1S/C14H14N2O4S/c1-8(17)12-11(13(18)19)15-14(21-12)16(2)9-4-6-10(20-3)7-5-9/h4-7H,1-3H3,(H,18,19)
InChIKeyTXEZSNUYVAXPLU-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.82
Rot. Bonds5

About 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106697276) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID106697276
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(N(C)c2nc(C(=O)O)c(C(C)=O)s2)cc1
InChIInChI=1S/C14H14N2O4S/c1-8(17)12-11(13(18)19)15-14(21-12)16(2)9-4-6-10(20-3)7-5-9/h4-7H,1-3H3,(H,18,19)
InChIKeyTXEZSNUYVAXPLU-UHFFFAOYSA-N
XLogP2.82
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
2-(N,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423841
5-acetyl-2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697895
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697069
5-acetyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697062
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870
2-(4-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393052
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 106697276) is 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid is COc1ccc(N(C)c2nc(C(=O)O)c(C(C)=O)s2)cc1.
What is the InChIKey of 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is TXEZSNUYVAXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8(17)12-11(13(18)19)15-14(21-12)16(2)9-4-6-10(20-3)7-5-9/h4-7H,1-3H3,(H,18,19).
What are the key properties of 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).