2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C5H8F2N4S — CID 114384378

IUPAC2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCC(F)(F)CNc1ncns1
InChIInChI=1S/C5H8F2N4S/c6-5(7,1-8)2-9-4-10-3-11-12-4/h3H,1-2,8H2,(H,9,10,11)
InChIKeyLCOPCHNCJKDYOK-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.54
Rot. Bonds4

About 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 114384378) has the molecular formula C5H8F2N4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID114384378
Molecular FormulaC5H8F2N4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCC(F)(F)CNc1ncns1
InChIInChI=1S/C5H8F2N4S/c6-5(7,1-8)2-9-4-10-3-11-12-4/h3H,1-2,8H2,(H,9,10,11)
InChIKeyLCOPCHNCJKDYOK-UHFFFAOYSA-N
XLogP0.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 114384378) is 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is NCC(F)(F)CNc1ncns1.
What is the InChIKey of 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is LCOPCHNCJKDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4S/c6-5(7,1-8)2-9-4-10-3-11-12-4/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 194.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 114384378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).