2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid

C20H18FNO3S — CID 142867472

IUPAC2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid
SMILESCc1nc(-c2ccccc2)sc1COc1ccc(C(C)C(=O)O)cc1F
InChIInChI=1S/C20H18FNO3S/c1-12(20(23)24)15-8-9-17(16(21)10-15)25-11-18-13(2)22-19(26-18)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyGZXIXMBHPBVZMT-UHFFFAOYSA-N
MW371.43 g/mol
LogP5.02
Rot. Bonds6

About 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid

2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid (PubChem CID 142867472) has the molecular formula C20H18FNO3S and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid
PubChem CID142867472
Molecular FormulaC20H18FNO3S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid
SMILESCc1nc(-c2ccccc2)sc1COc1ccc(C(C)C(=O)O)cc1F
InChIInChI=1S/C20H18FNO3S/c1-12(20(23)24)15-8-9-17(16(21)10-15)25-11-18-13(2)22-19(26-18)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyGZXIXMBHPBVZMT-UHFFFAOYSA-N
XLogP5.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid (CID 142867472) is 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid is Cc1nc(-c2ccccc2)sc1COc1ccc(C(C)C(=O)O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid?
The InChIKey is GZXIXMBHPBVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S/c1-12(20(23)24)15-8-9-17(16(21)10-15)25-11-18-13(2)22-19(26-18)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid?
2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid has a molecular weight of 371.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 142867472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).