5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole

C6H7BrF2N2OS — CID 103151210

IUPAC5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
SMILESFC(F)COCCc1nsc(Br)n1
InChIInChI=1S/C6H7BrF2N2OS/c7-6-10-5(11-13-6)1-2-12-3-4(8)9/h4H,1-3H2
InChIKeyQNAYTCJGLZGCSH-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.12
Rot. Bonds5

About 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole

5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole (PubChem CID 103151210) has the molecular formula C6H7BrF2N2OS and a molecular weight of 273.10 g/mol. Its IUPAC name is 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
PubChem CID103151210
Molecular FormulaC6H7BrF2N2OS
Molecular Weight273.10 g/mol
Exact Mass271.94
IUPAC Name5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
SMILESFC(F)COCCc1nsc(Br)n1
InChIInChI=1S/C6H7BrF2N2OS/c7-6-10-5(11-13-6)1-2-12-3-4(8)9/h4H,1-3H2
InChIKeyQNAYTCJGLZGCSH-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 102617869
5-Bromo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 102618156
3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146580
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146581
5-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151207
5-Chloro-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151208
5-Bromo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151209
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151211
3-[2-(2,2-Difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
CID 103151212
5-Bromo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476978
5-Bromo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476979
5-Bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 102617953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole (CID 103151210) is 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole is FC(F)COCCc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole?
The InChIKey is QNAYTCJGLZGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2OS/c7-6-10-5(11-13-6)1-2-12-3-4(8)9/h4H,1-3H2.
What are the key properties of 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole?
5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole has a molecular weight of 273.10 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 103151210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).