2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid

C17H11ClFNO2S — CID 59384906

IUPAC2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFNO2S/c18-12-5-1-10(2-6-12)16-14(9-15(21)22)23-17(20-16)11-3-7-13(19)8-4-11/h1-8H,9H2,(H,21,22)
InChIKeyZZMMMEITJXILBG-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.90
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 59384906) has the molecular formula C17H11ClFNO2S and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID59384906
Molecular FormulaC17H11ClFNO2S
Molecular Weight347.80 g/mol
Exact Mass347.02
IUPAC Name2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFNO2S/c18-12-5-1-10(2-6-12)16-14(9-15(21)22)23-17(20-16)11-3-7-13(19)8-4-11/h1-8H,9H2,(H,21,22)
InChIKeyZZMMMEITJXILBG-UHFFFAOYSA-N
XLogP4.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 59384906) is 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZZMMMEITJXILBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2S/c18-12-5-1-10(2-6-12)16-14(9-15(21)22)23-17(20-16)11-3-7-13(19)8-4-11/h1-8H,9H2,(H,21,22).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 347.80 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 59384906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).