2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C13H14N2O2S — CID 19965147

IUPAC2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(N(C)C)cc2)sc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-8-11(13(16)17)18-12(14-8)9-4-6-10(7-5-9)15(2)3/h4-7H,1-3H3,(H,16,17)
InChIKeyKNTJNXSOGDCWSX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 19965147) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID19965147
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(N(C)C)cc2)sc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-8-11(13(16)17)18-12(14-8)9-4-6-10(7-5-9)15(2)3/h4-7H,1-3H3,(H,16,17)
InChIKeyKNTJNXSOGDCWSX-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-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

Related Compounds

1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-[3-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161045
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
4-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 39161115
2-[4-(butanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163885
4-methyl-2-[4-(2-methylpropylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 94805015
methyl 4-chloro-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
CID 79073332

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 19965147) is 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(N(C)C)cc2)sc1C(=O)O.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KNTJNXSOGDCWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-11(13(16)17)18-12(14-8)9-4-6-10(7-5-9)15(2)3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19965147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).