N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

C4H4F3N3S — CID 65271024

IUPACN-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CNc1ncns1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)1-8-3-9-2-10-11-3/h2H,1H2,(H,8,9,10)
InChIKeyQJKCCPNPFRPBGS-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.51
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271024) has the molecular formula C4H4F3N3S and a molecular weight of 183.16 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271024
Molecular FormulaC4H4F3N3S
Molecular Weight183.16 g/mol
Exact Mass183.01
IUPAC NameN-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CNc1ncns1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)1-8-3-9-2-10-11-3/h2H,1H2,(H,8,9,10)
InChIKeyQJKCCPNPFRPBGS-UHFFFAOYSA-N
XLogP1.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278327
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 102809301
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294323
5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 106296012
N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107493998
N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494203
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 114384378

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 65271024) is N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CNc1ncns1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QJKCCPNPFRPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3S/c5-4(6,7)1-8-3-9-2-10-11-3/h2H,1H2,(H,8,9,10).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 183.16 g/mol, XLogP of 1.51, 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)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).