5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C12H22N4OS — CID 80606159

IUPAC5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CC(C)OC(C)C2)s1
InChIInChI=1S/C12H22N4OS/c1-4-5-13-12-15-14-11(18-12)8-16-6-9(2)17-10(3)7-16/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyZSKXWVLMPNZCHS-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.97
Rot. Bonds5

About 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606159) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606159
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CC(C)OC(C)C2)s1
InChIInChI=1S/C12H22N4OS/c1-4-5-13-12-15-14-11(18-12)8-16-6-9(2)17-10(3)7-16/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyZSKXWVLMPNZCHS-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-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-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606159) is 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CC(C)OC(C)C2)s1.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZSKXWVLMPNZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-5-13-12-15-14-11(18-12)8-16-6-9(2)17-10(3)7-16/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).