2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C15H14N6O3S3 — CID 25037031

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1
InChIInChI=1S/C15H14N6O3S3/c16-14-19-20-15(26-14)25-9-13(22)18-10-4-6-11(7-5-10)27(23,24)21-12-3-1-2-8-17-12/h1-8H,9H2,(H2,16,19)(H,17,21)(H,18,22)
InChIKeyJVZDHFVBKPHTNB-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.05
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 25037031) has the molecular formula C15H14N6O3S3 and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID25037031
Molecular FormulaC15H14N6O3S3
Molecular Weight422.52 g/mol
Exact Mass422.03
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1
InChIInChI=1S/C15H14N6O3S3/c16-14-19-20-15(26-14)25-9-13(22)18-10-4-6-11(7-5-10)27(23,24)21-12-3-1-2-8-17-12/h1-8H,9H2,(H2,16,19)(H,17,21)(H,18,22)
InChIKeyJVZDHFVBKPHTNB-UHFFFAOYSA-N
XLogP2.05
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 25037031) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JVZDHFVBKPHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S3/c16-14-19-20-15(26-14)25-9-13(22)18-10-4-6-11(7-5-10)27(23,24)21-12-3-1-2-8-17-12/h1-8H,9H2,(H2,16,19)(H,17,21)(H,18,22).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 422.52 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 25037031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).