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

C5H5F2N3OS — CID 130736415

IUPACN-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(F)F)c1cnsn1
InChIInChI=1S/C5H5F2N3OS/c6-4(7)2-8-5(11)3-1-9-12-10-3/h1,4H,2H2,(H,8,11)
InChIKeyJXUMKLGBVNQUPI-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.53
Rot. Bonds3

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

N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 130736415) has the molecular formula C5H5F2N3OS and a molecular weight of 193.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID130736415
Molecular FormulaC5H5F2N3OS
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC NameN-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(F)F)c1cnsn1
InChIInChI=1S/C5H5F2N3OS/c6-4(7)2-8-5(11)3-1-9-12-10-3/h1,4H,2H2,(H,8,11)
InChIKeyJXUMKLGBVNQUPI-UHFFFAOYSA-N
XLogP0.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-octyl-1,2,5-thiadiazole-3-carboxamide
CID 4654427
N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide
CID 900720
N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 72014244
N-(3,3,3-trifluoropropyl)-2H-triazole-4-carboxamide
CID 79036433
N-(4,4,4-trifluorobutyl)-2H-triazole-4-carboxamide
CID 79039701
N-(2,2-difluoroethyl)-2H-triazole-4-carboxamide
CID 79078956
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-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide
CID 103528838
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide (CID 130736415) is N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCC(F)F)c1cnsn1.
What is the InChIKey of N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is JXUMKLGBVNQUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3OS/c6-4(7)2-8-5(11)3-1-9-12-10-3/h1,4H,2H2,(H,8,11).
What are the key properties of N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 193.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 130736415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).