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

C12H8ClF3N2O2S — CID 80574105

IUPAC2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C12H8ClF3N2O2S/c13-8-2-1-6(12(14,15)16)3-9(8)18-11-17-7(5-21-11)4-10(19)20/h1-3,5H,4H2,(H,17,18)(H,19,20)
InChIKeyFLSHUDNOZIFWID-UHFFFAOYSA-N
MW336.72 g/mol
LogP4.19
Rot. Bonds4

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

2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80574105) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80574105
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC Name2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C12H8ClF3N2O2S/c13-8-2-1-6(12(14,15)16)3-9(8)18-11-17-7(5-21-11)4-10(19)20/h1-3,5H,4H2,(H,17,18)(H,19,20)
InChIKeyFLSHUDNOZIFWID-UHFFFAOYSA-N
XLogP4.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 83152925
2-[2-[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158224
2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80575425
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103231331
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59802435
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]propanoic acid
CID 58795533
2-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 45387882
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid (CID 80574105) is 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FLSHUDNOZIFWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-8-2-1-6(12(14,15)16)3-9(8)18-11-17-7(5-21-11)4-10(19)20/h1-3,5H,4H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 336.72 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80574105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).