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

C15H16N2O3S — CID 63917791

IUPAC4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cccc(N(C)c2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C15H16N2O3S/c1-17(10-4-3-5-11(8-10)20-2)15-16-12(9-6-7-9)13(21-15)14(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyIXZNYHLFFBUUMO-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.50
Rot. Bonds5

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

4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 63917791) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID63917791
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cccc(N(C)c2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C15H16N2O3S/c1-17(10-4-3-5-11(8-10)20-2)15-16-12(9-6-7-9)13(21-15)14(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyIXZNYHLFFBUUMO-UHFFFAOYSA-N
XLogP3.50
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-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

5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183
4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63918570
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64544622
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765123
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63916238
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231344
5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766655
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583
6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80972239

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid (CID 63917791) is 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid is COc1cccc(N(C)c2nc(C3CC3)c(C(=O)O)s2)c1.
What is the InChIKey of 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IXZNYHLFFBUUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(10-4-3-5-11(8-10)20-2)15-16-12(9-6-7-9)13(21-15)14(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63917791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).