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

C12H22N4OS — CID 133386244

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC(C)C2CN(C)CCO2)s1
InChIInChI=1S/C12H22N4OS/c1-4-5-11-14-15-12(18-11)13-9(2)10-8-16(3)6-7-17-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyDMARGZWOMXDOQC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.62
Rot. Bonds5

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

N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 133386244) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID133386244
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC(C)C2CN(C)CCO2)s1
InChIInChI=1S/C12H22N4OS/c1-4-5-11-14-15-12(18-11)13-9(2)10-8-16(3)6-7-17-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyDMARGZWOMXDOQC-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methylmorpholin-2-yl)ethyl]-5-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 N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine (CID 133386244) is N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(NC(C)C2CN(C)CCO2)s1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DMARGZWOMXDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-5-11-14-15-12(18-11)13-9(2)10-8-16(3)6-7-17-10/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine?
N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133386244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).