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

C19H16FNO4S — CID 155512244

IUPAC2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid
SMILESCc1nc(-c2ccccc2)sc1COc1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C19H16FNO4S/c1-12-17(26-19(21-12)13-5-3-2-4-6-13)10-24-14-7-8-16(15(20)9-14)25-11-18(22)23/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyJSCZYYKEOGVEBB-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.30
Rot. Bonds7

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

2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid (PubChem CID 155512244) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid
PubChem CID155512244
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid
SMILESCc1nc(-c2ccccc2)sc1COc1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C19H16FNO4S/c1-12-17(26-19(21-12)13-5-3-2-4-6-13)10-24-14-7-8-16(15(20)9-14)25-11-18(22)23/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyJSCZYYKEOGVEBB-UHFFFAOYSA-N
XLogP4.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid (CID 155512244) is 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid is Cc1nc(-c2ccccc2)sc1COc1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid?
The InChIKey is JSCZYYKEOGVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-12-17(26-19(21-12)13-5-3-2-4-6-13)10-24-14-7-8-16(15(20)9-14)25-11-18(22)23/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid?
2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenoxy]acetic acid is sourced from PubChem (CID 155512244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).