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

C10H8ClN3O2S — CID 1486940

IUPAC2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCn1sc(NC(=O)c2ccccc2Cl)nc1=O
InChIInChI=1S/C10H8ClN3O2S/c1-14-10(16)13-9(17-14)12-8(15)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,12,13,15,16)
InChIKeyNQGOLXWPOMFDOL-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.75
Rot. Bonds2

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

2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 1486940) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID1486940
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILESCn1sc(NC(=O)c2ccccc2Cl)nc1=O
InChIInChI=1S/C10H8ClN3O2S/c1-14-10(16)13-9(17-14)12-8(15)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,12,13,15,16)
InChIKeyNQGOLXWPOMFDOL-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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Related Compounds

2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
CID 175746600
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide
CID 75503905
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
2-chloro-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850432
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CID 1486940) is 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is Cn1sc(NC(=O)c2ccccc2Cl)nc1=O.
What is the InChIKey of 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is NQGOLXWPOMFDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-14-10(16)13-9(17-14)12-8(15)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,12,13,15,16).
What are the key properties of 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
2-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 2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 1486940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).