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

C6H10F2N4S — CID 107493998

IUPACN'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ncns1
InChIInChI=1S/C6H10F2N4S/c7-5(8)3-12(2-1-9)6-10-4-11-13-6/h4-5H,1-3,9H2
InChIKeyBPVMYYSSRPNHNJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.57
Rot. Bonds5

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

N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 107493998) has the molecular formula C6H10F2N4S and a molecular weight of 208.24 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID107493998
Molecular FormulaC6H10F2N4S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC NameN'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ncns1
InChIInChI=1S/C6H10F2N4S/c7-5(8)3-12(2-1-9)6-10-4-11-13-6/h4-5H,1-3,9H2
InChIKeyBPVMYYSSRPNHNJ-UHFFFAOYSA-N
XLogP0.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.57
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'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 107493998) is N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is NCCN(CC(F)F)c1ncns1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is BPVMYYSSRPNHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4S/c7-5(8)3-12(2-1-9)6-10-4-11-13-6/h4-5H,1-3,9H2.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 208.24 g/mol, XLogP of 0.57, 5 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'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 107493998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).