N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide

C20H18N4O2S — CID 56800922

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C20H18N4O2S/c1-20(2,3)18-23-17(26-24-18)13-9-5-4-8-12(13)16(25)22-19-21-14-10-6-7-11-15(14)27-19/h4-11H,1-3H3,(H,21,22,25)
InChIKeyLREMCKKYQIUZMI-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.90
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide

N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 56800922) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID56800922
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C20H18N4O2S/c1-20(2,3)18-23-17(26-24-18)13-9-5-4-8-12(13)16(25)22-19-21-14-10-6-7-11-15(14)27-19/h4-11H,1-3H3,(H,21,22,25)
InChIKeyLREMCKKYQIUZMI-UHFFFAOYSA-N
XLogP4.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide
CID 23828377
N-(1,3-benzothiazol-2-yl)-1-tert-butyl-3,4-dihydroisoquinoline-8-carboxamide
CID 157095152
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 71856325
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-[4-[[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698292

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide (CID 56800922) is N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide is CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc3ccccc3s2)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LREMCKKYQIUZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-20(2,3)18-23-17(26-24-18)13-9-5-4-8-12(13)16(25)22-19-21-14-10-6-7-11-15(14)27-19/h4-11H,1-3H3,(H,21,22,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 378.46 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 56800922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).