ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid

C14H17NO3S — CID 145106003

IUPACethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC.COc1ccc(-c2ncsc2C(=O)O)c(C)c1
InChIInChI=1S/C12H11NO3S.C2H6/c1-7-5-8(16-2)3-4-9(7)10-11(12(14)15)17-6-13-10;1-2/h3-6H,1-2H3,(H,14,15);1-2H3
InChIKeyKJZLKWSBAOGGGQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.85
Rot. Bonds3

About ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid

ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 145106003) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Nameethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID145106003
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Nameethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC.COc1ccc(-c2ncsc2C(=O)O)c(C)c1
InChIInChI=1S/C12H11NO3S.C2H6/c1-7-5-8(16-2)3-4-9(7)10-11(12(14)15)17-6-13-10;1-2/h3-6H,1-2H3,(H,14,15);1-2H3
InChIKeyKJZLKWSBAOGGGQ-UHFFFAOYSA-N
XLogP3.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;4-(4-methoxy-2-methylphenyl)-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

4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95481161
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129018
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82135516
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
4-(2-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867410
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 145106003) is ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid is CC.COc1ccc(-c2ncsc2C(=O)O)c(C)c1.
What is the InChIKey of ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KJZLKWSBAOGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S.C2H6/c1-7-5-8(16-2)3-4-9(7)10-11(12(14)15)17-6-13-10;1-2/h3-6H,1-2H3,(H,14,15);1-2H3.
What are the key properties of ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 145106003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).