2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C16H11N5O3S2 — CID 75449161

IUPAC2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccccc1-c1ccno1
InChIInChI=1S/C16H11N5O3S2/c22-26(23,14-7-2-1-5-11(14)13-8-10-18-24-13)21-16-20-19-15(25-16)12-6-3-4-9-17-12/h1-10H,(H,20,21)
InChIKeyOAWCVMKJLMIIQJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.06
Rot. Bonds5

About 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 75449161) has the molecular formula C16H11N5O3S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID75449161
Molecular FormulaC16H11N5O3S2
Molecular Weight385.43 g/mol
Exact Mass385.03
IUPAC Name2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccccc1-c1ccno1
InChIInChI=1S/C16H11N5O3S2/c22-26(23,14-7-2-1-5-11(14)13-8-10-18-24-13)21-16-20-19-15(25-16)12-6-3-4-9-17-12/h1-10H,(H,20,21)
InChIKeyOAWCVMKJLMIIQJ-UHFFFAOYSA-N
XLogP3.06
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 75449161) is 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccccc1-c1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is OAWCVMKJLMIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3S2/c22-26(23,14-7-2-1-5-11(14)13-8-10-18-24-13)21-16-20-19-15(25-16)12-6-3-4-9-17-12/h1-10H,(H,20,21).
What are the key properties of 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 385.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75449161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).