5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine

C4H6F2N4S — CID 115409380

IUPAC5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC(F)F)n1
InChIInChI=1S/C4H6F2N4S/c5-2(6)1-8-4-9-3(7)10-11-4/h2H,1H2,(H3,7,8,9,10)
InChIKeyGYRGVTHWABEBBB-UHFFFAOYSA-N
MW180.18 g/mol
LogP0.80
Rot. Bonds3

About 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 115409380) has the molecular formula C4H6F2N4S and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID115409380
Molecular FormulaC4H6F2N4S
Molecular Weight180.18 g/mol
Exact Mass180.03
IUPAC Name5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC(F)F)n1
InChIInChI=1S/C4H6F2N4S/c5-2(6)1-8-4-9-3(7)10-11-4/h2H,1H2,(H3,7,8,9,10)
InChIKeyGYRGVTHWABEBBB-UHFFFAOYSA-N
XLogP0.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
3-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine;hydrobromide
CID 21298776
3-(2,2,2-Trifluoroethyl)amino-5-amino-1,2,4-thiadiazole
CID 21298777
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304649
N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271024
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66277938
5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278327
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279237
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine (CID 115409380) is 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCC(F)F)n1.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is GYRGVTHWABEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4S/c5-2(6)1-8-4-9-3(7)10-11-4/h2H,1H2,(H3,7,8,9,10).
What are the key properties of 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 180.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 115409380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).