2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid

C23H17FN2O3S — CID 1001787

IUPAC2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2F)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17FN2O3S/c24-18-8-4-5-9-19(18)25-23-26-22(20(30-23)14-21(27)28)15-10-12-17(13-11-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyMEKOPPMKAFJRKX-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.11
Rot. Bonds7

About 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 1001787) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID1001787
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2F)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17FN2O3S/c24-18-8-4-5-9-19(18)25-23-26-22(20(30-23)14-21(27)28)15-10-12-17(13-11-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyMEKOPPMKAFJRKX-UHFFFAOYSA-N
XLogP6.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(Bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660291
2-{2-[(2-Methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4095384
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 2254772
3-[2-(Cyclohexylamino)-4-(4-methoxyphenyl)-5-thiazolyl]propanoic acid methyl ester
CID 2384164
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2089709
2-(4-(4-Phenoxyphenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 2178182
2-(3-methoxyphenyl)-N-(4-(4-methoxyphenyl)-5-methylthiazol-2-yl)acetamide
CID 2671554
2-(2-(2-Chlorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145335
2-(2-(2-Methoxyphenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145349
2-(2-(4-Fluorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145355
2-[2-(2-Ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 1001787) is 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2ccccc2F)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MEKOPPMKAFJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c24-18-8-4-5-9-19(18)25-23-26-22(20(30-23)14-21(27)28)15-10-12-17(13-11-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 420.47 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 1001787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).