3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine

C11H21N3S — CID 65208233

IUPAC3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nnc(C)s1)C(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-12-10(8(2)3)7-11-14-13-9(4)15-11/h8,10,12H,5-7H2,1-4H3
InChIKeyWALZFWXXGHSYMU-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.41
Rot. Bonds6

About 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine

3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine (PubChem CID 65208233) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine
PubChem CID65208233
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nnc(C)s1)C(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-12-10(8(2)3)7-11-14-13-9(4)15-11/h8,10,12H,5-7H2,1-4H3
InChIKeyWALZFWXXGHSYMU-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine (CID 65208233) is 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine is CCCNC(Cc1nnc(C)s1)C(C)C.
What is the InChIKey of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is WALZFWXXGHSYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-12-10(8(2)3)7-11-14-13-9(4)15-11/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine?
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 65208233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).