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

C9H16N4S — CID 65277654

IUPAC1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCc1nsc(NCC(N)C2CC2)n1
InChIInChI=1S/C9H16N4S/c1-2-8-12-9(14-13-8)11-5-7(10)6-3-4-6/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyPDACVETZZMSIBG-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.25
Rot. Bonds5

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

1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65277654) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65277654
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCc1nsc(NCC(N)C2CC2)n1
InChIInChI=1S/C9H16N4S/c1-2-8-12-9(14-13-8)11-5-7(10)6-3-4-6/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyPDACVETZZMSIBG-UHFFFAOYSA-N
XLogP1.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103837652
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
CID 106108447
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 103739545
1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 104755981
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321
3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271707

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65277654) is 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCc1nsc(NCC(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is PDACVETZZMSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-8-12-9(14-13-8)11-5-7(10)6-3-4-6/h6-7H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.25, 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-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65277654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).