N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine

C6H8F3N3S — CID 104854570

IUPACN-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(CC(F)(F)F)Nc1ncns1
InChIInChI=1S/C6H8F3N3S/c1-4(2-6(7,8)9)12-5-10-3-11-13-5/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyIZQLGXYKHIWWMJ-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.29
Rot. Bonds3

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

N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 104854570) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID104854570
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(CC(F)(F)F)Nc1ncns1
InChIInChI=1S/C6H8F3N3S/c1-4(2-6(7,8)9)12-5-10-3-11-13-5/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyIZQLGXYKHIWWMJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
CID 106214891
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294323
N-butan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304643
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 114384378
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652
5-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522982

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 104854570) is N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine is CC(CC(F)(F)F)Nc1ncns1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IZQLGXYKHIWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-4(2-6(7,8)9)12-5-10-3-11-13-5/h3-4H,2H2,1H3,(H,10,11,12).
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104854570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).