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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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).