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

C12H12N2O3S — CID 64630915

IUPAC5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2scnc2C(=O)O)cc1C
InChIInChI=1S/C12H12N2O3S/c1-7-5-8(3-4-9(7)17-2)14-11-10(12(15)16)13-6-18-11/h3-6,14H,1-2H3,(H,15,16)
InChIKeyAOIRPLGMXMMTQN-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.90
Rot. Bonds4

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

5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630915) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630915
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2scnc2C(=O)O)cc1C
InChIInChI=1S/C12H12N2O3S/c1-7-5-8(3-4-9(7)17-2)14-11-10(12(15)16)13-6-18-11/h3-6,14H,1-2H3,(H,15,16)
InChIKeyAOIRPLGMXMMTQN-UHFFFAOYSA-N
XLogP2.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
CID 64630070
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499
5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567094
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 64630915) is 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid is COc1ccc(Nc2scnc2C(=O)O)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AOIRPLGMXMMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7-5-8(3-4-9(7)17-2)14-11-10(12(15)16)13-6-18-11/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).