2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

C13H14N2O3S — CID 66865638

IUPAC2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(-c2sc(N(C)C)nc2C(=O)O)c1
InChIInChI=1S/C13H14N2O3S/c1-15(2)13-14-10(12(16)17)11(19-13)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H,16,17)
InChIKeyOFJFGIOKMANQSH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.58
Rot. Bonds4

About 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 66865638) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID66865638
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(-c2sc(N(C)C)nc2C(=O)O)c1
InChIInChI=1S/C13H14N2O3S/c1-15(2)13-14-10(12(16)17)11(19-13)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H,16,17)
InChIKeyOFJFGIOKMANQSH-UHFFFAOYSA-N
XLogP2.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 66865638) is 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1cccc(-c2sc(N(C)C)nc2C(=O)O)c1.
What is the InChIKey of 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is OFJFGIOKMANQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15(2)13-14-10(12(16)17)11(19-13)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66865638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).