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

C8H14N4S — CID 65275684

IUPAC1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H14N4S/c1-5(9)4-10-8-11-7(12-13-8)6-2-3-6/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyVAUZOKWBLPFPMB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.17
Rot. Bonds4

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

1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine (PubChem CID 65275684) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
PubChem CID65275684
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H14N4S/c1-5(9)4-10-8-11-7(12-13-8)6-2-3-6/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyVAUZOKWBLPFPMB-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
CID 104594431
3-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271588
3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine
CID 65276766
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310862
N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65329186
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 112681785
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine
CID 115715825

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine (CID 65275684) is 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine is CC(N)CNc1nc(C2CC2)ns1.
What is the InChIKey of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The InChIKey is VAUZOKWBLPFPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5(9)4-10-8-11-7(12-13-8)6-2-3-6/h5-6H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 65275684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).