1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine

C10H17N3S — CID 83639656

IUPAC1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nnc(C2CCC2)s1
InChIInChI=1S/C10H17N3S/c1-6(2)8(11)10-13-12-9(14-10)7-4-3-5-7/h6-8H,3-5,11H2,1-2H3
InChIKeyHXLJHEXFPIAVAT-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.46
Rot. Bonds3

About 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine

1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine (PubChem CID 83639656) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine
PubChem CID83639656
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nnc(C2CCC2)s1
InChIInChI=1S/C10H17N3S/c1-6(2)8(11)10-13-12-9(14-10)7-4-3-5-7/h6-8H,3-5,11H2,1-2H3
InChIKeyHXLJHEXFPIAVAT-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine (CID 83639656) is 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1nnc(C2CCC2)s1.
What is the InChIKey of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is HXLJHEXFPIAVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6(2)8(11)10-13-12-9(14-10)7-4-3-5-7/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine?
1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83639656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).