N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide

C7H9F2N3O2S — CID 107482646

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(c1cnsn1)N(CCO)CC(F)F
InChIInChI=1S/C7H9F2N3O2S/c8-6(9)4-12(1-2-13)7(14)5-3-10-15-11-5/h3,6,13H,1-2,4H2
InChIKeyZELRYZLCYKUQGQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.24
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 107482646) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID107482646
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(c1cnsn1)N(CCO)CC(F)F
InChIInChI=1S/C7H9F2N3O2S/c8-6(9)4-12(1-2-13)7(14)5-3-10-15-11-5/h3,6,13H,1-2,4H2
InChIKeyZELRYZLCYKUQGQ-UHFFFAOYSA-N
XLogP0.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 72014244
2-[1,2,5-Thiadiazole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990400
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 80497992
N-[(2R)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547262
N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547263
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
CID 103726289
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)-2H-triazole-4-carboxamide
CID 107482886
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 114383742
(3-Fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 130626065

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide (CID 107482646) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide is O=C(c1cnsn1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ZELRYZLCYKUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c8-6(9)4-12(1-2-13)7(14)5-3-10-15-11-5/h3,6,13H,1-2,4H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 107482646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).