2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

C13H22N4O2S3 — CID 9376534

IUPAC2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(SCCN2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S3/c1-2-3-14-11(18)10-21-13-16-15-12(22-13)20-9-6-17-4-7-19-8-5-17/h2-10H2,1H3,(H,14,18)
InChIKeyXGUZWEMMKUKMJL-UHFFFAOYSA-N
MW362.55 g/mol
LogP1.58
Rot. Bonds9

About 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 9376534) has the molecular formula C13H22N4O2S3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
PubChem CID9376534
Molecular FormulaC13H22N4O2S3
Molecular Weight362.55 g/mol
Exact Mass362.09
IUPAC Name2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(SCCN2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S3/c1-2-3-14-11(18)10-21-13-16-15-12(22-13)20-9-6-17-4-7-19-8-5-17/h2-10H2,1H3,(H,14,18)
InChIKeyXGUZWEMMKUKMJL-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide 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 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 9376534) is 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(SCCN2CCOCC2)s1.
What is the InChIKey of 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The InChIKey is XGUZWEMMKUKMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S3/c1-2-3-14-11(18)10-21-13-16-15-12(22-13)20-9-6-17-4-7-19-8-5-17/h2-10H2,1H3,(H,14,18).
What are the key properties of 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 362.55 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 9376534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).