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

C18H15FN2O3S — CID 3145344

IUPAC2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C18H15FN2O3S/c1-24-14-8-2-11(3-9-14)17-15(10-16(22)23)25-18(21-17)20-13-6-4-12(19)5-7-13/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyZXAXUWKOEDRRQN-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.33
Rot. Bonds6

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

2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145344) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID3145344
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C18H15FN2O3S/c1-24-14-8-2-11(3-9-14)17-15(10-16(22)23)25-18(21-17)20-13-6-4-12(19)5-7-13/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyZXAXUWKOEDRRQN-UHFFFAOYSA-N
XLogP4.33
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 3145344) is 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZXAXUWKOEDRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-24-14-8-2-11(3-9-14)17-15(10-16(22)23)25-18(21-17)20-13-6-4-12(19)5-7-13/h2-9H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).