N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide

C5H4BrF2N3OS — CID 130620161

IUPACN-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(F)(F)Br)c1csnn1
InChIInChI=1S/C5H4BrF2N3OS/c6-5(7,8)2-9-4(12)3-1-13-11-10-3/h1H,2H2,(H,9,12)
InChIKeyZNPIYOHOZDGGSK-UHFFFAOYSA-N
MW272.07 g/mol
LogP1.26
Rot. Bonds3

About N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide

N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide (PubChem CID 130620161) has the molecular formula C5H4BrF2N3OS and a molecular weight of 272.07 g/mol. Its IUPAC name is N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide
PubChem CID130620161
Molecular FormulaC5H4BrF2N3OS
Molecular Weight272.07 g/mol
Exact Mass270.92
IUPAC NameN-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(F)(F)Br)c1csnn1
InChIInChI=1S/C5H4BrF2N3OS/c6-5(7,8)2-9-4(12)3-1-13-11-10-3/h1H,2H2,(H,9,12)
InChIKeyZNPIYOHOZDGGSK-UHFFFAOYSA-N
XLogP1.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide (CID 130620161) is N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide is O=C(NCC(F)(F)Br)c1csnn1.
What is the InChIKey of N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide?
The InChIKey is ZNPIYOHOZDGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2N3OS/c6-5(7,8)2-9-4(12)3-1-13-11-10-3/h1H,2H2,(H,9,12).
What are the key properties of N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide?
N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide has a molecular weight of 272.07 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 130620161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).