2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide

C9H6ClN3O2S — CID 61038453

IUPAC2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
SMILESNC(=O)c1ccccc1Oc1nsnc1Cl
InChIInChI=1S/C9H6ClN3O2S/c10-7-9(13-16-12-7)15-6-4-2-1-3-5(6)8(11)14/h1-4H,(H2,11,14)
InChIKeyLCAFAWWEBFFOQA-UHFFFAOYSA-N
MW255.69 g/mol
LogP2.08
Rot. Bonds3

About 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide

2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide (PubChem CID 61038453) has the molecular formula C9H6ClN3O2S and a molecular weight of 255.69 g/mol. Its IUPAC name is 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide.

Molecular Properties

Compound Name2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
PubChem CID61038453
Molecular FormulaC9H6ClN3O2S
Molecular Weight255.69 g/mol
Exact Mass254.99
IUPAC Name2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
SMILESNC(=O)c1ccccc1Oc1nsnc1Cl
InChIInChI=1S/C9H6ClN3O2S/c10-7-9(13-16-12-7)15-6-4-2-1-3-5(6)8(11)14/h1-4H,(H2,11,14)
InChIKeyLCAFAWWEBFFOQA-UHFFFAOYSA-N
XLogP2.08
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 63734333
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
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5-amino-6-(2-carbamoylphenoxy)pyridine-2-carboxamide
CID 114408553
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116921
2-(2-amino-5-chlorophenoxy)benzamide
CID 113315871
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
CID 61095824
2-[3-chloro-2-(methylaminomethyl)phenoxy]benzamide
CID 43282446
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
(2-carbamoylphenoxy)carbamic acid
CID 174929401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide?
The IUPAC name of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide (CID 61038453) is 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide.
What is the SMILES notation for 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide?
The canonical SMILES for 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide is NC(=O)c1ccccc1Oc1nsnc1Cl.
What is the InChIKey of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide?
The InChIKey is LCAFAWWEBFFOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2S/c10-7-9(13-16-12-7)15-6-4-2-1-3-5(6)8(11)14/h1-4H,(H2,11,14).
What are the key properties of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide?
2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide has a molecular weight of 255.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide is sourced from PubChem (CID 61038453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).