N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

C13H18N6O4S3 — CID 20949840

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESCCSc1nnc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C13H18N6O4S3/c1-2-24-13-17-16-12(25-13)15-10(20)7-18-8-11(14-9-18)26(21,22)19-3-5-23-6-4-19/h8-9H,2-7H2,1H3,(H,15,16,20)
InChIKeyCYUKPSGTQWHZQE-UHFFFAOYSA-N
MW418.53 g/mol
LogP0.51
Rot. Bonds7

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20949840) has the molecular formula C13H18N6O4S3 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20949840
Molecular FormulaC13H18N6O4S3
Molecular Weight418.53 g/mol
Exact Mass418.06
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESCCSc1nnc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C13H18N6O4S3/c1-2-24-13-17-16-12(25-13)15-10(20)7-18-8-11(14-9-18)26(21,22)19-3-5-23-6-4-19/h8-9H,2-7H2,1H3,(H,15,16,20)
InChIKeyCYUKPSGTQWHZQE-UHFFFAOYSA-N
XLogP0.51
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide 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

2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20949960
2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20949736
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 46341352
N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949815
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 100650682
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
CID 20949851
N-benzyl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949850
N-(4-bromo-2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949786
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 27788677
ethyl N-[5-[2-(4-morpholin-4-ylsulfonylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 55602471
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947074

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (CID 20949840) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is CCSc1nnc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is CYUKPSGTQWHZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O4S3/c1-2-24-13-17-16-12(25-13)15-10(20)7-18-8-11(14-9-18)26(21,22)19-3-5-23-6-4-19/h8-9H,2-7H2,1H3,(H,15,16,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 418.53 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20949840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).