3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 164660260

IUPAC3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CC(C)C2)n1
InChIInChI=1S/C10H17N3S/c1-3-9-12-10(14-13-9)11-6-8-4-7(2)5-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRWUBMKAAMARMCT-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.56
Rot. Bonds4

About 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 164660260) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID164660260
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CC(C)C2)n1
InChIInChI=1S/C10H17N3S/c1-3-9-12-10(14-13-9)11-6-8-4-7(2)5-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRWUBMKAAMARMCT-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65274333
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 106128094
3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103702729
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133399736
N-[(4-chlorocyclohexyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106125743
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103837652
3-tert-butyl-N-[(3-chlorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 66006089
1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65277654

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine (CID 164660260) is 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CC(C)C2)n1.
What is the InChIKey of 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is RWUBMKAAMARMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-12-10(14-13-9)11-6-8-4-7(2)5-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 164660260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).