N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C8H14F2N4S — CID 107494031

IUPACN'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCc1nsc(N(CCN)CC(F)F)n1
InChIInChI=1S/C8H14F2N4S/c1-2-7-12-8(15-13-7)14(4-3-11)5-6(9)10/h6H,2-5,11H2,1H3
InChIKeyCIEGCIZZDHRJCY-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.13
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 107494031) has the molecular formula C8H14F2N4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID107494031
Molecular FormulaC8H14F2N4S
Molecular Weight236.29 g/mol
Exact Mass236.09
IUPAC NameN'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCc1nsc(N(CCN)CC(F)F)n1
InChIInChI=1S/C8H14F2N4S/c1-2-7-12-8(15-13-7)14(4-3-11)5-6(9)10/h6H,2-5,11H2,1H3
InChIKeyCIEGCIZZDHRJCY-UHFFFAOYSA-N
XLogP1.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 107494031) is N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCc1nsc(N(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is CIEGCIZZDHRJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4S/c1-2-7-12-8(15-13-7)14(4-3-11)5-6(9)10/h6H,2-5,11H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 236.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).