N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C5H7F2N3S — CID 79099578

IUPACN-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(F)F)n1
InChIInChI=1S/C5H7F2N3S/c1-3-9-5(11-10-3)8-2-4(6)7/h4H,2H2,1H3,(H,8,9,10)
InChIKeyKEALNZFIMWELOW-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.52
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 79099578) has the molecular formula C5H7F2N3S and a molecular weight of 179.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID79099578
Molecular FormulaC5H7F2N3S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC NameN-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(F)F)n1
InChIInChI=1S/C5H7F2N3S/c1-3-9-5(11-10-3)8-2-4(6)7/h4H,2H2,1H3,(H,8,9,10)
InChIKeyKEALNZFIMWELOW-UHFFFAOYSA-N
XLogP1.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 79099578) is N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC(F)F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KEALNZFIMWELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3S/c1-3-9-5(11-10-3)8-2-4(6)7/h4H,2H2,1H3,(H,8,9,10).
What are the key properties of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 179.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79099578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).