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

C6H5F4N3OS — CID 99835136

IUPACN-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1cnsn1
InChIInChI=1S/C6H5F4N3OS/c7-5(8)6(9,10)2-11-4(14)3-1-12-15-13-3/h1,5H,2H2,(H,11,14)
InChIKeySKSLWEPAOZFUCH-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.17
Rot. Bonds4

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

N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 99835136) has the molecular formula C6H5F4N3OS and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID99835136
Molecular FormulaC6H5F4N3OS
Molecular Weight243.19 g/mol
Exact Mass243.01
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1cnsn1
InChIInChI=1S/C6H5F4N3OS/c7-5(8)6(9,10)2-11-4(14)3-1-12-15-13-3/h1,5H,2H2,(H,11,14)
InChIKeySKSLWEPAOZFUCH-UHFFFAOYSA-N
XLogP1.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2,2-difluoro-3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
CID 104857119
N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 112733273
N-(3-amino-2,2-difluoropropyl)-2H-triazole-4-carboxamide
CID 114383362

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide (CID 99835136) is N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCC(F)(F)C(F)F)c1cnsn1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is SKSLWEPAOZFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3OS/c7-5(8)6(9,10)2-11-4(14)3-1-12-15-13-3/h1,5H,2H2,(H,11,14).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 243.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 99835136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).