5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid

C22H23NO2S — CID 69005170

IUPAC5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid
SMILESCc1ccc(C(C)C(CC(C(=O)O)c2nccs2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-15-8-10-17(11-9-15)16(2)19(18-6-4-3-5-7-18)14-20(22(24)25)21-23-12-13-26-21/h3-13,16,19-20H,14H2,1-2H3,(H,24,25)
InChIKeyKIYZRQUYDZCORX-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.60
Rot. Bonds7

About 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid

5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid (PubChem CID 69005170) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid
PubChem CID69005170
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid
SMILESCc1ccc(C(C)C(CC(C(=O)O)c2nccs2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-15-8-10-17(11-9-15)16(2)19(18-6-4-3-5-7-18)14-20(22(24)25)21-23-12-13-26-21/h3-13,16,19-20H,14H2,1-2H3,(H,24,25)
InChIKeyKIYZRQUYDZCORX-UHFFFAOYSA-N
XLogP5.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-diphenyl-2-(1,3-thiazol-2-yl)hexanoic acid
CID 69003827
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
CID 175886345
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
2-[carboxymethyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 65065646
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
CID 90941742
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
3-[4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]anilino]propanoic acid
CID 65059451
2-[4-(1,3-thiazol-2-yl)phenyl]butanoic acid
CID 174694618
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid?
The IUPAC name of 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid (CID 69005170) is 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid.
What is the SMILES notation for 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid?
The canonical SMILES for 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid is Cc1ccc(C(C)C(CC(C(=O)O)c2nccs2)c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid?
The InChIKey is KIYZRQUYDZCORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-15-8-10-17(11-9-15)16(2)19(18-6-4-3-5-7-18)14-20(22(24)25)21-23-12-13-26-21/h3-13,16,19-20H,14H2,1-2H3,(H,24,25).
What are the key properties of 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid?
5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid has a molecular weight of 365.50 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid is sourced from PubChem (CID 69005170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).