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

C6H9F2N3S — CID 79838767

IUPACN-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(F)F)n1
InChIInChI=1S/C6H9F2N3S/c1-2-5-10-6(12-11-5)9-3-4(7)8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyCPRYGCFSJPHGEM-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.78
Rot. Bonds4

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

N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 79838767) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID79838767
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC NameN-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(F)F)n1
InChIInChI=1S/C6H9F2N3S/c1-2-5-10-6(12-11-5)9-3-4(7)8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyCPRYGCFSJPHGEM-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 79838767) is N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC(F)F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CPRYGCFSJPHGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-2-5-10-6(12-11-5)9-3-4(7)8/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 193.22 g/mol, XLogP of 1.78, 4 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-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79838767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).