N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

C8H9N5O3S3 — CID 110738901

IUPACN-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2nccs2)s1
InChIInChI=1S/C8H9N5O3S3/c1-5(14)11-7-12-13-8(18-7)19(15,16)10-4-6-9-2-3-17-6/h2-3,10H,4H2,1H3,(H,11,12,14)
InChIKeyXKPIKUKYLJDMAJ-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.43
Rot. Bonds5

About N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110738901) has the molecular formula C8H9N5O3S3 and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110738901
Molecular FormulaC8H9N5O3S3
Molecular Weight319.39 g/mol
Exact Mass318.99
IUPAC NameN-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2nccs2)s1
InChIInChI=1S/C8H9N5O3S3/c1-5(14)11-7-12-13-8(18-7)19(15,16)10-4-6-9-2-3-17-6/h2-3,10H,4H2,1H3,(H,11,12,14)
InChIKeyXKPIKUKYLJDMAJ-UHFFFAOYSA-N
XLogP0.43
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.43
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-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-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

N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110318005
N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110723460
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110642140
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
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
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110661636

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110738901) is N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2nccs2)s1.
What is the InChIKey of N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is XKPIKUKYLJDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S3/c1-5(14)11-7-12-13-8(18-7)19(15,16)10-4-6-9-2-3-17-6/h2-3,10H,4H2,1H3,(H,11,12,14).
What are the key properties of N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110738901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).