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

C15H17NO2S — CID 106510860

IUPAC5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(-c2cc(C)cc(C)c2)s1
InChIInChI=1S/C15H17NO2S/c1-4-5-12-16-13(15(17)18)14(19-12)11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyCDMUNSJKFOUSAW-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.08
Rot. Bonds4

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

5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510860) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510860
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(-c2cc(C)cc(C)c2)s1
InChIInChI=1S/C15H17NO2S/c1-4-5-12-16-13(15(17)18)14(19-12)11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyCDMUNSJKFOUSAW-UHFFFAOYSA-N
XLogP4.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510854
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510799
5-(4-chlorothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510849
5-(3,5-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510719
5-(2,3-dichlorophenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510825
2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 131333858
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
2-[2-(dimethylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 115345538
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
5-(4-fluorophenyl)-2-(2-hydroxyethyl)-1,3-thiazole-4-carboxylic acid
CID 90337834
2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 102927109

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid (CID 106510860) is 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(-c2cc(C)cc(C)c2)s1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is CDMUNSJKFOUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-5-12-16-13(15(17)18)14(19-12)11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).