3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid

C16H19NO3S — CID 82432663

IUPAC3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
SMILESCCCc1nc(-c2ccc(OC)cc2)sc1CCC(=O)O
InChIInChI=1S/C16H19NO3S/c1-3-4-13-14(9-10-15(18)19)21-16(17-13)11-5-7-12(20-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyZLXUHKNMNPJBSA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.79
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid

3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82432663) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82432663
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
SMILESCCCc1nc(-c2ccc(OC)cc2)sc1CCC(=O)O
InChIInChI=1S/C16H19NO3S/c1-3-4-13-14(9-10-15(18)19)21-16(17-13)11-5-7-12(20-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyZLXUHKNMNPJBSA-UHFFFAOYSA-N
XLogP3.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
3-[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82428468
3-[2-methyl-4-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]phenyl]propanoic acid
CID 10217421
3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359
3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82437399
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid (CID 82432663) is 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid is CCCc1nc(-c2ccc(OC)cc2)sc1CCC(=O)O.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is ZLXUHKNMNPJBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-4-13-14(9-10-15(18)19)21-16(17-13)11-5-7-12(20-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 305.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82432663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).