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

C16H19N5O3S2 — CID 1271291

IUPACN-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CSc1nnc(NC(=O)CN2CCOCC2)s1)Nc1ccccc1
InChIInChI=1S/C16H19N5O3S2/c22-13(10-21-6-8-24-9-7-21)18-15-19-20-16(26-15)25-11-14(23)17-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,23)(H,18,19,22)
InChIKeyOMRHXPXAWXLSRF-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.54
Rot. Bonds7

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

N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 1271291) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID1271291
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC NameN-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CSc1nnc(NC(=O)CN2CCOCC2)s1)Nc1ccccc1
InChIInChI=1S/C16H19N5O3S2/c22-13(10-21-6-8-24-9-7-21)18-15-19-20-16(26-15)25-11-14(23)17-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,23)(H,18,19,22)
InChIKeyOMRHXPXAWXLSRF-UHFFFAOYSA-N
XLogP1.54
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1036241
Cyclobutanecarboxylic acid {5-[(4-morpholin-4-yl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide
CID 645750
N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)acetamide
CID 661269
N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 980311
N-[5-({2-[(3-methylphenyl)amino]-2-oxoethyl}thio)-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1239155
4-[2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2089366
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2572431
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 3662861
1-(4-Fluorophenyl)-3-(5-{[2-oxo-2-(piperidin-1-YL)ethyl]sulfanyl}-1,3,4-thiadiazol-2-YL)urea
CID 7385221
1-(5-((2-Oxo-2-(piperidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
CID 16032688
1-(4-fluorophenyl)-N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24892041
N-(4-morpholin-4-ylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 16314506

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide (CID 1271291) is N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide is O=C(CSc1nnc(NC(=O)CN2CCOCC2)s1)Nc1ccccc1.
What is the InChIKey of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is OMRHXPXAWXLSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c22-13(10-21-6-8-24-9-7-21)18-15-19-20-16(26-15)25-11-14(23)17-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,23)(H,18,19,22).
What are the key properties of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 393.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1271291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).