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

C9H13F3N4S — CID 107494312

IUPACN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1nc(C2CC2)ns1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)5-16(4-3-13)8-14-7(15-17-8)6-1-2-6/h6H,1-5,13H2
InChIKeyVWFFGAXWZWOLHU-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.74
Rot. Bonds5

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

N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494312) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494312
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1nc(C2CC2)ns1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)5-16(4-3-13)8-14-7(15-17-8)6-1-2-6/h6H,1-5,13H2
InChIKeyVWFFGAXWZWOLHU-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 133429634
N-(2-chloroethyl)-3-cyclopropyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65277512
2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275113
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494235
N-(2-chloroethyl)-N-cyclobutyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 102871748
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494250
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
CID 65272048
N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273343
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
CID 115681060

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494312) is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1nc(C2CC2)ns1.
What is the InChIKey of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VWFFGAXWZWOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)5-16(4-3-13)8-14-7(15-17-8)6-1-2-6/h6H,1-5,13H2.
What are the key properties of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 266.29 g/mol, XLogP of 1.74, 5 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'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).