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

C9H15F3N4S — CID 107494311

IUPACN'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCc1nsc(N(CCN)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N4S/c1-2-3-7-14-8(17-15-7)16(5-4-13)6-9(10,11)12/h2-6,13H2,1H3
InChIKeyXIFIGASFIRWZPY-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.82
Rot. Bonds6

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

N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494311) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494311
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCc1nsc(N(CCN)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N4S/c1-2-3-7-14-8(17-15-7)16(5-4-13)6-9(10,11)12/h2-6,13H2,1H3
InChIKeyXIFIGASFIRWZPY-UHFFFAOYSA-N
XLogP1.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494311) is N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCc1nsc(N(CCN)CC(F)(F)F)n1.
What is the InChIKey of N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is XIFIGASFIRWZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-2-3-7-14-8(17-15-7)16(5-4-13)6-9(10,11)12/h2-6,13H2,1H3.
What are the key properties of N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 268.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-propyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).