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

C10H16N4S — CID 65276177

IUPAC1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESNCC(Nc1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C10H16N4S/c11-5-8(6-1-2-6)12-10-13-9(14-15-10)7-3-4-7/h6-8H,1-5,11H2,(H,12,13,14)
InChIKeyUNVOWGFKVLOFMM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.56
Rot. Bonds5

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

1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65276177) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65276177
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESNCC(Nc1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C10H16N4S/c11-5-8(6-1-2-6)12-10-13-9(14-15-10)7-3-4-7/h6-8H,1-5,11H2,(H,12,13,14)
InChIKeyUNVOWGFKVLOFMM-UHFFFAOYSA-N
XLogP1.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
CID 80704893
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400592
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 115309534
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol
CID 166243639
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310862

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65276177) is 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is NCC(Nc1nc(C2CC2)ns1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is UNVOWGFKVLOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-5-8(6-1-2-6)12-10-13-9(14-15-10)7-3-4-7/h6-8H,1-5,11H2,(H,12,13,14).
What are the key properties of 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65276177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).