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

C5H4F3N3O2S — CID 81340799

IUPACN-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cnns1
InChIInChI=1S/C5H4F3N3O2S/c6-5(7,8)2-13-10-4(12)3-1-9-11-14-3/h1H,2H2,(H,10,12)
InChIKeyQVDBOGJFXFDVFX-UHFFFAOYSA-N
MW227.17 g/mol
LogP0.76
Rot. Bonds3

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

N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (PubChem CID 81340799) has the molecular formula C5H4F3N3O2S and a molecular weight of 227.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
PubChem CID81340799
Molecular FormulaC5H4F3N3O2S
Molecular Weight227.17 g/mol
Exact Mass227.00
IUPAC NameN-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cnns1
InChIInChI=1S/C5H4F3N3O2S/c6-5(7,8)2-13-10-4(12)3-1-9-11-14-3/h1H,2H2,(H,10,12)
InChIKeyQVDBOGJFXFDVFX-UHFFFAOYSA-N
XLogP0.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (CID 81340799) is N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is O=C(NOCC(F)(F)F)c1cnns1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The InChIKey is QVDBOGJFXFDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2S/c6-5(7,8)2-13-10-4(12)3-1-9-11-14-3/h1H,2H2,(H,10,12).
What are the key properties of N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide has a molecular weight of 227.17 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 81340799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).