N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H12N6O3S3 — CID 110661636

IUPACN-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCCc2cn3ccsc3n2)s1
InChIInChI=1S/C11H12N6O3S3/c1-7(18)13-9-15-16-11(22-9)23(19,20)12-3-2-8-6-17-4-5-21-10(17)14-8/h4-6,12H,2-3H2,1H3,(H,13,15,18)
InChIKeyBYFLZYYDPSDWIE-UHFFFAOYSA-N
MW372.46 g/mol
LogP0.73
Rot. Bonds6

About N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110661636) has the molecular formula C11H12N6O3S3 and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110661636
Molecular FormulaC11H12N6O3S3
Molecular Weight372.46 g/mol
Exact Mass372.01
IUPAC NameN-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCCc2cn3ccsc3n2)s1
InChIInChI=1S/C11H12N6O3S3/c1-7(18)13-9-15-16-11(22-9)23(19,20)12-3-2-8-6-17-4-5-21-10(17)14-8/h4-6,12H,2-3H2,1H3,(H,13,15,18)
InChIKeyBYFLZYYDPSDWIE-UHFFFAOYSA-N
XLogP0.73
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110661634
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 26881446
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-sulfamoylbenzamide
CID 77083416
N-[5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107866792
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)thiophene-2-carboxamide
CID 5310147

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110661636) is N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCCc2cn3ccsc3n2)s1.
What is the InChIKey of N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BYFLZYYDPSDWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3S3/c1-7(18)13-9-15-16-11(22-9)23(19,20)12-3-2-8-6-17-4-5-21-10(17)14-8/h4-6,12H,2-3H2,1H3,(H,13,15,18).
What are the key properties of N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 372.46 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110661636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).