2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid

C18H12F3NO2S — CID 154363492

IUPAC2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO2S/c19-18(20,21)13-8-6-11(7-9-13)16-14(10-15(23)24)25-17(22-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,24)
InChIKeyNFWJHVCKSJACAU-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.12
Rot. Bonds4

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

2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 154363492) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID154363492
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO2S/c19-18(20,21)13-8-6-11(7-9-13)16-14(10-15(23)24)25-17(22-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,24)
InChIKeyNFWJHVCKSJACAU-UHFFFAOYSA-N
XLogP5.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid (CID 154363492) is 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is NFWJHVCKSJACAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c19-18(20,21)13-8-6-11(7-9-13)16-14(10-15(23)24)25-17(22-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,24).
What are the key properties of 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 363.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 154363492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).