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

C6H9F2N3S — CID 164654642

IUPACN-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(F)(F)CNc1ncns1
InChIInChI=1S/C6H9F2N3S/c1-2-6(7,8)3-9-5-10-4-11-12-5/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyZCCRBLWGVNUBEA-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.00
Rot. Bonds4

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

N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 164654642) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine
PubChem CID164654642
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC NameN-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(F)(F)CNc1ncns1
InChIInChI=1S/C6H9F2N3S/c1-2-6(7,8)3-9-5-10-4-11-12-5/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyZCCRBLWGVNUBEA-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine (CID 164654642) is N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine is CCC(F)(F)CNc1ncns1.
What is the InChIKey of N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZCCRBLWGVNUBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-2-6(7,8)3-9-5-10-4-11-12-5/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine?
N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 193.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 164654642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).