2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile

C7H5F3N2O2S — CID 171870295

IUPAC2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile
SMILESN#CC(O)C(O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)4-2-15-6(12-4)5(14)3(13)1-11/h2-3,5,13-14H
InChIKeyXNUYYYXVHJQIER-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.08
Rot. Bonds2

About 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile

2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile (PubChem CID 171870295) has the molecular formula C7H5F3N2O2S and a molecular weight of 238.19 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile
PubChem CID171870295
Molecular FormulaC7H5F3N2O2S
Molecular Weight238.19 g/mol
Exact Mass238.00
IUPAC Name2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile
SMILESN#CC(O)C(O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)4-2-15-6(12-4)5(14)3(13)1-11/h2-3,5,13-14H
InChIKeyXNUYYYXVHJQIER-UHFFFAOYSA-N
XLogP1.08
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile 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

4-azido-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butane-1,2-diol
CID 171879530
4-(4-iodophenyl)-3-oxo-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanenitrile
CID 167895347
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
tert-butyl N-[3,4-dihydroxy-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butyl]carbamate
CID 171884906
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 167249314
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]ethanesulfonamide
CID 71985542
(2S,3S)-2,3-dihydroxybutanedinitrile
CID 102473790
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
2-[[2,6-bis(trifluoromethyl)-4-pyridinyl]-hydroxymethyl]-3-hydroxy-3-[5-(trifluoromethyl)pyrazin-2-yl]propanenitrile
CID 167515131
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]formamide
CID 143219890

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile (CID 171870295) is 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile is N#CC(O)C(O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile?
The InChIKey is XNUYYYXVHJQIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2S/c8-7(9,10)4-2-15-6(12-4)5(14)3(13)1-11/h2-3,5,13-14H.
What are the key properties of 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile?
2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile has a molecular weight of 238.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanenitrile is sourced from PubChem (CID 171870295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).