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

C10H18N4S — CID 65270229

IUPACN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1nc(C2CC2)ns1
InChIInChI=1S/C10H18N4S/c1-2-14(7-3-6-11)10-12-9(13-15-10)8-4-5-8/h8H,2-7,11H2,1H3
InChIKeyHULYUQYQCOGSOP-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.59
Rot. Bonds6

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

N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine (PubChem CID 65270229) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine
PubChem CID65270229
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1nc(C2CC2)ns1
InChIInChI=1S/C10H18N4S/c1-2-14(7-3-6-11)10-12-9(13-15-10)8-4-5-8/h8H,2-7,11H2,1H3
InChIKeyHULYUQYQCOGSOP-UHFFFAOYSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.59
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'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine (CID 65270229) is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1nc(C2CC2)ns1.
What is the InChIKey of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine?
The InChIKey is HULYUQYQCOGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-14(7-3-6-11)10-12-9(13-15-10)8-4-5-8/h8H,2-7,11H2,1H3.
What are the key properties of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine?
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.59, 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'-ethylpropane-1,3-diamine is sourced from PubChem (CID 65270229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).