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

C15H16N4O3S2 — CID 5050278

IUPACN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C15H16N4O3S2/c20-12(19-6-8-22-9-7-19)10-23-15-18-17-14(24-15)16-13(21)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17,21)
InChIKeyZRGNCKMZPPIADI-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.74
Rot. Bonds5

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

N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 5050278) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID5050278
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC NameN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C15H16N4O3S2/c20-12(19-6-8-22-9-7-19)10-23-15-18-17-14(24-15)16-13(21)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17,21)
InChIKeyZRGNCKMZPPIADI-UHFFFAOYSA-N
XLogP1.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide 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-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (CID 5050278) is N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)c1ccccc1.
What is the InChIKey of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZRGNCKMZPPIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c20-12(19-6-8-22-9-7-19)10-23-15-18-17-14(24-15)16-13(21)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17,21).
What are the key properties of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 5050278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).