3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C11H21N3S — CID 65267704

IUPAC3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCc1nsc(NCC(C)C)n1
InChIInChI=1S/C11H21N3S/c1-8(2)5-6-10-13-11(15-14-10)12-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyWXDJNJLWPVJIMS-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.19
Rot. Bonds6

About 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267704) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267704
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCc1nsc(NCC(C)C)n1
InChIInChI=1S/C11H21N3S/c1-8(2)5-6-10-13-11(15-14-10)12-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyWXDJNJLWPVJIMS-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267704) is 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CCc1nsc(NCC(C)C)n1.
What is the InChIKey of 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WXDJNJLWPVJIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8(2)5-6-10-13-11(15-14-10)12-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).