4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C19H16N4O2S — CID 50767260

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc2)no1
InChIInChI=1S/C19H16N4O2S/c1-3-16-21-17(23-25-16)12-5-7-13(8-6-12)18(24)22-19-20-14-9-4-11(2)10-15(14)26-19/h4-10H,3H2,1-2H3,(H,20,22,24)
InChIKeyUFDOVYZTNFLCAU-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.47
Rot. Bonds4

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 50767260) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID50767260
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc2)no1
InChIInChI=1S/C19H16N4O2S/c1-3-16-21-17(23-25-16)12-5-7-13(8-6-12)18(24)22-19-20-14-9-4-11(2)10-15(14)26-19/h4-10H,3H2,1-2H3,(H,20,22,24)
InChIKeyUFDOVYZTNFLCAU-UHFFFAOYSA-N
XLogP4.47
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

[4-[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]phenyl] acetate
CID 2344214
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780544
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide
CID 2905350
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate
CID 4213659
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 50767260) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is CCc1nc(-c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UFDOVYZTNFLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-3-16-21-17(23-25-16)12-5-7-13(8-6-12)18(24)22-19-20-14-9-4-11(2)10-15(14)26-19/h4-10H,3H2,1-2H3,(H,20,22,24).
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 50767260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).