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

C13H12N6O3S3 — CID 110318005

IUPACN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccn3)cs2)s1
InChIInChI=1S/C13H12N6O3S3/c1-8(20)16-12-18-19-13(24-12)25(21,22)15-6-11-17-10(7-23-11)9-4-2-3-5-14-9/h2-5,7,15H,6H2,1H3,(H,16,18,20)
InChIKeyVDHGYNCNWKOIER-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.49
Rot. Bonds6

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

N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110318005) has the molecular formula C13H12N6O3S3 and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110318005
Molecular FormulaC13H12N6O3S3
Molecular Weight396.48 g/mol
Exact Mass396.01
IUPAC NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccn3)cs2)s1
InChIInChI=1S/C13H12N6O3S3/c1-8(20)16-12-18-19-13(24-12)25(21,22)15-6-11-17-10(7-23-11)9-4-2-3-5-14-9/h2-5,7,15H,6H2,1H3,(H,16,18,20)
InChIKeyVDHGYNCNWKOIER-UHFFFAOYSA-N
XLogP1.49
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.49
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'}

Analyze N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-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-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317951
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317993
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101
2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110317990
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110318005) is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccn3)cs2)s1.
What is the InChIKey of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VDHGYNCNWKOIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S3/c1-8(20)16-12-18-19-13(24-12)25(21,22)15-6-11-17-10(7-23-11)9-4-2-3-5-14-9/h2-5,7,15H,6H2,1H3,(H,16,18,20).
What are the key properties of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 396.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110318005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).