5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C9H16N4OS — CID 79003421

IUPAC5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CN(C)CCO2)s1
InChIInChI=1S/C9H16N4OS/c1-7-11-12-9(15-7)10-5-8-6-13(2)3-4-14-8/h8H,3-6H2,1-2H3,(H,10,12)
InChIKeySDEWCXIVILMYNY-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.59
Rot. Bonds3

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

5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79003421) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID79003421
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CN(C)CCO2)s1
InChIInChI=1S/C9H16N4OS/c1-7-11-12-9(15-7)10-5-8-6-13(2)3-4-14-8/h8H,3-6H2,1-2H3,(H,10,12)
InChIKeySDEWCXIVILMYNY-UHFFFAOYSA-N
XLogP0.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-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 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 79003421) is 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CN(C)CCO2)s1.
What is the InChIKey of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SDEWCXIVILMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7-11-12-9(15-7)10-5-8-6-13(2)3-4-14-8/h8H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 228.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79003421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).