2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid

C8H5F3N2O2S — CID 82382869

IUPAC2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2c(C(F)(F)F)ncn12
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)6-7-13(3-12-6)4(2-16-7)1-5(14)15/h2-3H,1H2,(H,14,15)
InChIKeyXBLNUFWTQHTVCI-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.04
Rot. Bonds2

About 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid

2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 82382869) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID82382869
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC Name2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2c(C(F)(F)F)ncn12
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)6-7-13(3-12-6)4(2-16-7)1-5(14)15/h2-3H,1H2,(H,14,15)
InChIKeyXBLNUFWTQHTVCI-UHFFFAOYSA-N
XLogP2.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid (CID 82382869) is 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid is O=C(O)Cc1csc2c(C(F)(F)F)ncn12.
What is the InChIKey of 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is XBLNUFWTQHTVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c9-8(10,11)6-7-13(3-12-6)4(2-16-7)1-5(14)15/h2-3H,1H2,(H,14,15).
What are the key properties of 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid?
2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 250.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 82382869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).