N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C15H13N5O3S2 — CID 110634809

IUPACN-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(-c3ccccc3)nc2)s1
InChIInChI=1S/C15H13N5O3S2/c1-10(21)17-14-18-19-15(24-14)25(22,23)20-12-7-8-13(16-9-12)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,17,18,21)
InChIKeyMLQSSHYOUHCLCL-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.36
Rot. Bonds5

About N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110634809) has the molecular formula C15H13N5O3S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110634809
Molecular FormulaC15H13N5O3S2
Molecular Weight375.44 g/mol
Exact Mass375.05
IUPAC NameN-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(-c3ccccc3)nc2)s1
InChIInChI=1S/C15H13N5O3S2/c1-10(21)17-14-18-19-15(24-14)25(22,23)20-12-7-8-13(16-9-12)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,17,18,21)
InChIKeyMLQSSHYOUHCLCL-UHFFFAOYSA-N
XLogP2.36
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-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-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-(6-phenyl-3-pyridinyl)ethanesulfonamide
CID 110634770
N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110300325
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
N-[5-[(4-bromo-2-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102820677
N-[5-[(4-chloro-2-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 104821754
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
N-[5-[[(1R)-1-(2-methylphenyl)propyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100514128
N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 171714660
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110634809) is N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(-c3ccccc3)nc2)s1.
What is the InChIKey of N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MLQSSHYOUHCLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S2/c1-10(21)17-14-18-19-15(24-14)25(22,23)20-12-7-8-13(16-9-12)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,17,18,21).
What are the key properties of N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110634809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).