(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C9H4Br2F3NO2S — CID 106782034

IUPAC(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cc(Br)c(Br)o1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4Br2F3NO2S/c10-3-1-4(17-7(3)11)6(16)5-2-15-8(18-5)9(12,13)14/h1-2,6,16H
InChIKeyFABUGBDRZQKDCB-UHFFFAOYSA-N
MW407.01 g/mol
LogP4.36
Rot. Bonds2

About (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782034) has the molecular formula C9H4Br2F3NO2S and a molecular weight of 407.01 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782034
Molecular FormulaC9H4Br2F3NO2S
Molecular Weight407.01 g/mol
Exact Mass404.83
IUPAC Name(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cc(Br)c(Br)o1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4Br2F3NO2S/c10-3-1-4(17-7(3)11)6(16)5-2-15-8(18-5)9(12,13)14/h1-2,6,16H
InChIKeyFABUGBDRZQKDCB-UHFFFAOYSA-N
XLogP4.36
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.01
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782034) is (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cc(Br)c(Br)o1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is FABUGBDRZQKDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2F3NO2S/c10-3-1-4(17-7(3)11)6(16)5-2-15-8(18-5)9(12,13)14/h1-2,6,16H.
What are the key properties of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 407.01 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).