N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide

C6H6F3N3O2S — CID 103726289

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnsn1
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)4(13)2-10-5(14)3-1-11-15-12-3/h1,4,13H,2H2,(H,10,14)
InChIKeyWJACOVJIVNYVIU-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.19
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 103726289) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID103726289
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnsn1
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)4(13)2-10-5(14)3-1-11-15-12-3/h1,4,13H,2H2,(H,10,14)
InChIKeyWJACOVJIVNYVIU-UHFFFAOYSA-N
XLogP0.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide 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

N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
2-[1,2,5-Thiadiazole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990400
N-(3,3,3-trifluoro-2-hydroxypropyl)-2H-triazole-4-carboxamide
CID 103726457
N-(3,3-difluoro-2-hydroxypropyl)-2H-triazole-4-carboxamide
CID 103770390
N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
CID 103770524
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 103915377
N-(2,2-difluoro-3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
CID 104857119
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 107482646
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 114383742
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120408228
4,4,4-Trifluoro-2-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 121642754
N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 130736415

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide (CID 103726289) is N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1cnsn1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is WJACOVJIVNYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-6(8,9)4(13)2-10-5(14)3-1-11-15-12-3/h1,4,13H,2H2,(H,10,14).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 241.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 103726289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).