3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid

C15H17NO2S — CID 82431422

IUPAC3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
SMILESCCCc1nc(-c2ccccc2)sc1CCC(=O)O
InChIInChI=1S/C15H17NO2S/c1-2-6-12-13(9-10-14(17)18)19-15(16-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,17,18)
InChIKeyACLMCNQDCHWRPL-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.78
Rot. Bonds6

About 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid

3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82431422) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82431422
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
SMILESCCCc1nc(-c2ccccc2)sc1CCC(=O)O
InChIInChI=1S/C15H17NO2S/c1-2-6-12-13(9-10-14(17)18)19-15(16-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,17,18)
InChIKeyACLMCNQDCHWRPL-UHFFFAOYSA-N
XLogP3.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432663
3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
3-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432457
3-[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82431158
3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82437399
3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
CID 28942305
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
3-[2-methyl-4-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]phenyl]propanoic acid
CID 10217421
3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82433961

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid (CID 82431422) is 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid is CCCc1nc(-c2ccccc2)sc1CCC(=O)O.
What is the InChIKey of 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is ACLMCNQDCHWRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-6-12-13(9-10-14(17)18)19-15(16-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,17,18).
What are the key properties of 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid?
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 275.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82431422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).