1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol

C8H10F3NO2S — CID 106782928

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
SMILESCCC(O)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NO2S/c1-2-4(13)6(14)5-3-12-7(15-5)8(9,10)11/h3-4,6,13-14H,2H2,1H3
InChIKeyBLPMUKGRMAIOEG-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.97
Rot. Bonds3

About 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol (PubChem CID 106782928) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
PubChem CID106782928
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
SMILESCCC(O)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NO2S/c1-2-4(13)6(14)5-3-12-7(15-5)8(9,10)11/h3-4,6,13-14H,2H2,1H3
InChIKeyBLPMUKGRMAIOEG-UHFFFAOYSA-N
XLogP1.97
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782771
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786617
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
CID 106784203
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782895
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoic acid
CID 106784489
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol (CID 106782928) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol is CCC(O)C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol?
The InChIKey is BLPMUKGRMAIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-2-4(13)6(14)5-3-12-7(15-5)8(9,10)11/h3-4,6,13-14H,2H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol has a molecular weight of 241.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol is sourced from PubChem (CID 106782928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).