4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid

C14H15NO2S — CID 82226923

IUPAC4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2cccc(C)c2)c(C(=O)O)s1
InChIInChI=1S/C14H15NO2S/c1-3-5-11-15-12(13(18-11)14(16)17)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,16,17)
InChIKeyWZTOWYZWGRNLDE-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.77
Rot. Bonds4

About 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid

4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226923) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID82226923
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2cccc(C)c2)c(C(=O)O)s1
InChIInChI=1S/C14H15NO2S/c1-3-5-11-15-12(13(18-11)14(16)17)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,16,17)
InChIKeyWZTOWYZWGRNLDE-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid (CID 82226923) is 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2cccc(C)c2)c(C(=O)O)s1.
What is the InChIKey of 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WZTOWYZWGRNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-5-11-15-12(13(18-11)14(16)17)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 261.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).