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

C12H7F3N2O2S — CID 10470057

IUPAC2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2c(n1)sc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H7F3N2O2S/c13-12(14,15)6-1-2-8-9(3-6)20-11-16-7(4-10(18)19)5-17(8)11/h1-3,5H,4H2,(H,18,19)
InChIKeyVLNSNYIWOHASAX-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.19
Rot. Bonds2

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

2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid (PubChem CID 10470057) has the molecular formula C12H7F3N2O2S and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid
PubChem CID10470057
Molecular FormulaC12H7F3N2O2S
Molecular Weight300.26 g/mol
Exact Mass300.02
IUPAC Name2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2c(n1)sc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H7F3N2O2S/c13-12(14,15)6-1-2-8-9(3-6)20-11-16-7(4-10(18)19)5-17(8)11/h1-3,5H,4H2,(H,18,19)
InChIKeyVLNSNYIWOHASAX-UHFFFAOYSA-N
XLogP3.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid (CID 10470057) is 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid is O=C(O)Cc1cn2c(n1)sc1cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid?
The InChIKey is VLNSNYIWOHASAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2S/c13-12(14,15)6-1-2-8-9(3-6)20-11-16-7(4-10(18)19)5-17(8)11/h1-3,5H,4H2,(H,18,19).
What are the key properties of 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid?
2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid has a molecular weight of 300.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetic acid is sourced from PubChem (CID 10470057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).