N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine

C5H7F3N4S — CID 107304576

IUPACN'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H7F3N4S/c6-5(7,8)3-11-4(13-12-3)10-2-1-9/h1-2,9H2,(H,10,11,12)
InChIKeyCRBWFLSPPLZIPO-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.93
Rot. Bonds3

About N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine

N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107304576) has the molecular formula C5H7F3N4S and a molecular weight of 212.20 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107304576
Molecular FormulaC5H7F3N4S
Molecular Weight212.20 g/mol
Exact Mass212.03
IUPAC NameN'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H7F3N4S/c6-5(7,8)3-11-4(13-12-3)10-2-1-9/h1-2,9H2,(H,10,11,12)
InChIKeyCRBWFLSPPLZIPO-UHFFFAOYSA-N
XLogP0.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107304576) is N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is NCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is CRBWFLSPPLZIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4S/c6-5(7,8)3-11-4(13-12-3)10-2-1-9/h1-2,9H2,(H,10,11,12).
What are the key properties of N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 212.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107304576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).