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

C9H14F2N4S — CID 107494115

IUPACN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1nc(C2CC2)ns1
InChIInChI=1S/C9H14F2N4S/c10-7(11)5-15(4-3-12)9-13-8(14-16-9)6-1-2-6/h6-7H,1-5,12H2
InChIKeyGMRRNMVFJFQZJL-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.45
Rot. Bonds6

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

N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 107494115) has the molecular formula C9H14F2N4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID107494115
Molecular FormulaC9H14F2N4S
Molecular Weight248.30 g/mol
Exact Mass248.09
IUPAC NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1nc(C2CC2)ns1
InChIInChI=1S/C9H14F2N4S/c10-7(11)5-15(4-3-12)9-13-8(14-16-9)6-1-2-6/h6-7H,1-5,12H2
InChIKeyGMRRNMVFJFQZJL-UHFFFAOYSA-N
XLogP1.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (CID 107494115) is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is NCCN(CC(F)F)c1nc(C2CC2)ns1.
What is the InChIKey of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is GMRRNMVFJFQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4S/c10-7(11)5-15(4-3-12)9-13-8(14-16-9)6-1-2-6/h6-7H,1-5,12H2.
What are the key properties of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 248.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).