2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C14H9F3N2O2S — CID 4044730

IUPAC2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(-c3ccc(C(F)(F)F)cc3)nc2s1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)9-3-1-8(2-4-9)11-7-19-6-10(5-12(20)21)22-13(19)18-11/h1-4,6-7H,5H2,(H,20,21)
InChIKeyYMEBHSBHDQWJNG-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.71
Rot. Bonds3

About 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 4044730) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID4044730
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(-c3ccc(C(F)(F)F)cc3)nc2s1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)9-3-1-8(2-4-9)11-7-19-6-10(5-12(20)21)22-13(19)18-11/h1-4,6-7H,5H2,(H,20,21)
InChIKeyYMEBHSBHDQWJNG-UHFFFAOYSA-N
XLogP3.71
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Phenylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acid
CID 672289
Sdccgsbi-0096861.P001
CID 3805128
1,1,1,3,3,3-Hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
CID 3415122
1,1,1,3,3,3-Hexafluoro-2-{6-phenylimidazo[2,1-b][1,3]thiazol-2-yl}propan-2-ol
CID 3454042
6-(4-Fluorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3]thiazole
CID 15991408
6-[6-[4-Phenyl-3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]hexanoic acid
CID 70685934
6-Phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 118723466
6-(4-Methylphenyl)imidazo(2,1-b)thiazole
CID 333016
Imidazo[2,1-b]thiazole, 6-[3-(trifluoromethyl)phenyl]-
CID 477918
6-(4-Fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 868204
Methyl 3,3,3-trifluoro-2-hydroxy-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanoate
CID 4657335
6-Phenyl-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 162546050

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 4044730) is 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is O=C(O)Cc1cn2cc(-c3ccc(C(F)(F)F)cc3)nc2s1.
What is the InChIKey of 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is YMEBHSBHDQWJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)9-3-1-8(2-4-9)11-7-19-6-10(5-12(20)21)22-13(19)18-11/h1-4,6-7H,5H2,(H,20,21).
What are the key properties of 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 326.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 4044730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).