4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid

C14H15NO3S — CID 4980405

IUPAC4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-8-18-11-6-4-10(5-7-11)13-15-9(2)12(19-13)14(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyZDVIRZPRMZYYRK-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.61
Rot. Bonds5

About 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 4980405) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID4980405
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-8-18-11-6-4-10(5-7-11)13-15-9(2)12(19-13)14(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyZDVIRZPRMZYYRK-UHFFFAOYSA-N
XLogP3.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(4-propoxyphenyl)-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-methyl-2-[(4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969593
2-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988096
4-methyl-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20990595
4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 10689117
2-(3-bromo-4-butoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990459
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide
CID 59337836
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
2-[4-(butanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 4980405) is 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid is CCCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZDVIRZPRMZYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-8-18-11-6-4-10(5-7-11)13-15-9(2)12(19-13)14(16)17/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 4980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).