2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid

C15H19NO4S — CID 68895170

IUPAC2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(C2=NC(C(=O)O)(C(C)C)CS2)c(OC)c1
InChIInChI=1S/C15H19NO4S/c1-9(2)15(14(17)18)8-21-13(16-15)11-6-5-10(19-3)7-12(11)20-4/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyKCHHAKRGNOVXBJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.68
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid

2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid (PubChem CID 68895170) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid
PubChem CID68895170
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(C2=NC(C(=O)O)(C(C)C)CS2)c(OC)c1
InChIInChI=1S/C15H19NO4S/c1-9(2)15(14(17)18)8-21-13(16-15)11-6-5-10(19-3)7-12(11)20-4/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyKCHHAKRGNOVXBJ-UHFFFAOYSA-N
XLogP2.68
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61264514
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 53273851
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
CID 51070084
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid (CID 68895170) is 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid is COc1ccc(C2=NC(C(=O)O)(C(C)C)CS2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid?
The InChIKey is KCHHAKRGNOVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-9(2)15(14(17)18)8-21-13(16-15)11-6-5-10(19-3)7-12(11)20-4/h5-7,9H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid?
2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 68895170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).