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

C14H15NO3S — CID 106510854

IUPAC5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(-c2cccc(OC)c2)s1
InChIInChI=1S/C14H15NO3S/c1-3-5-11-15-12(14(16)17)13(19-11)9-6-4-7-10(8-9)18-2/h4,6-8H,3,5H2,1-2H3,(H,16,17)
InChIKeyDODWHUAZRNBKKC-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.47
Rot. Bonds5

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

5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510854) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510854
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(-c2cccc(OC)c2)s1
InChIInChI=1S/C14H15NO3S/c1-3-5-11-15-12(14(16)17)13(19-11)9-6-4-7-10(8-9)18-2/h4,6-8H,3,5H2,1-2H3,(H,16,17)
InChIKeyDODWHUAZRNBKKC-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510719
2-ethyl-5-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 107105442
5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510860
5-(2,3-dichlorophenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510825
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 102927109
2-[2-(dimethylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 115345538
2-bromo-5-[3-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510244
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510799
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid (CID 106510854) is 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(-c2cccc(OC)c2)s1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is DODWHUAZRNBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-5-11-15-12(14(16)17)13(19-11)9-6-4-7-10(8-9)18-2/h4,6-8H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).