3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide

C10H8ClN3O2S — CID 1486941

IUPAC3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCn1sc(NC(=O)c2cccc(Cl)c2)nc1=O
InChIInChI=1S/C10H8ClN3O2S/c1-14-10(16)13-9(17-14)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,15,16)
InChIKeyQSVODSMJXQAITH-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.75
Rot. Bonds2

About 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide

3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 1486941) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID1486941
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCn1sc(NC(=O)c2cccc(Cl)c2)nc1=O
InChIInChI=1S/C10H8ClN3O2S/c1-14-10(16)13-9(17-14)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,15,16)
InChIKeyQSVODSMJXQAITH-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CID 1486941) is 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is Cn1sc(NC(=O)c2cccc(Cl)c2)nc1=O.
What is the InChIKey of 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is QSVODSMJXQAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-14-10(16)13-9(17-14)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,15,16).
What are the key properties of 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 269.71 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 1486941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).