3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid

C19H17NO2S — CID 86299861

IUPAC3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCc1ccccc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H17NO2S/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17(12-18(21)22)19-20-9-10-23-19/h2-11,17H,12H2,1H3,(H,21,22)
InChIKeyVDNVCUAXJCDOEY-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.73
Rot. Bonds5

About 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid

3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 86299861) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID86299861
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCc1ccccc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H17NO2S/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17(12-18(21)22)19-20-9-10-23-19/h2-11,17H,12H2,1H3,(H,21,22)
InChIKeyVDNVCUAXJCDOEY-UHFFFAOYSA-N
XLogP4.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (CID 86299861) is 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is Cc1ccccc1-c1cccc(C(CC(=O)O)c2nccs2)c1.
What is the InChIKey of 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is VDNVCUAXJCDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17(12-18(21)22)19-20-9-10-23-19/h2-11,17H,12H2,1H3,(H,21,22).
What are the key properties of 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 323.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 86299861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).