N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine

C8H11F2N3S — CID 131020650

IUPACN-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(CNc1ncns1)C1CCC1
InChIInChI=1S/C8H11F2N3S/c9-8(10,6-2-1-3-6)4-11-7-12-5-13-14-7/h5-6H,1-4H2,(H,11,12,13)
InChIKeyGNCSUCOQWDEDAX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.39
Rot. Bonds4

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

N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 131020650) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID131020650
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC NameN-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(CNc1ncns1)C1CCC1
InChIInChI=1S/C8H11F2N3S/c9-8(10,6-2-1-3-6)4-11-7-12-5-13-14-7/h5-6H,1-4H2,(H,11,12,13)
InChIKeyGNCSUCOQWDEDAX-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclobutylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305147
N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652
N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130616600
N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101669
N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101687
N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
CID 131198079
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133486731
N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271209
N-(2-cyclopentylethyl)-1,2,4-thiadiazol-5-amine
CID 65271516
N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271554
N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271613
N-[(3-aminocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 66004991

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine (CID 131020650) is N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine is FC(F)(CNc1ncns1)C1CCC1.
What is the InChIKey of N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GNCSUCOQWDEDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10,6-2-1-3-6)4-11-7-12-5-13-14-7/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131020650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).