2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol

C9H7F3N2OS2 — CID 22106691

IUPAC2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)(c2nccs2)C(F)(F)F)n1
InChIInChI=1S/C9H7F3N2OS2/c1-5-4-17-7(14-5)8(15,9(10,11)12)6-13-2-3-16-6/h2-4,15H,1H3
InChIKeyBDXQQNXVCUAXEQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.71
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol

2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 22106691) has the molecular formula C9H7F3N2OS2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID22106691
Molecular FormulaC9H7F3N2OS2
Molecular Weight280.30 g/mol
Exact Mass280.00
IUPAC Name2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)(c2nccs2)C(F)(F)F)n1
InChIInChI=1S/C9H7F3N2OS2/c1-5-4-17-7(14-5)8(15,9(10,11)12)6-13-2-3-16-6/h2-4,15H,1H3
InChIKeyBDXQQNXVCUAXEQ-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol 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 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol (CID 22106691) is 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol is Cc1csc(C(O)(c2nccs2)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is BDXQQNXVCUAXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS2/c1-5-4-17-7(14-5)8(15,9(10,11)12)6-13-2-3-16-6/h2-4,15H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol?
2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 280.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 22106691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).