N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C5H4F3N3OS — CID 126782209

IUPACN-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnns1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)2-9-4(12)3-1-10-11-13-3/h1H,2H2,(H,9,12)
InChIKeyPPZXTAZVZLCELV-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.83
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 126782209) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID126782209
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC NameN-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnns1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)2-9-4(12)3-1-10-11-13-3/h1H,2H2,(H,9,12)
InChIKeyPPZXTAZVZLCELV-UHFFFAOYSA-N
XLogP0.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide
CID 87023272
N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103726419
N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103769679
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 103857295
N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide
CID 104857502
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 107482500
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
CID 107491422
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
CID 107491897
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492283
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492663
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
CID 114383417
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide;hydrochloride
CID 120409382

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 126782209) is N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is O=C(NCC(F)(F)F)c1cnns1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is PPZXTAZVZLCELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c6-5(7,8)2-9-4(12)3-1-10-11-13-3/h1H,2H2,(H,9,12).
What are the key properties of N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 211.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 126782209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).