N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide

C18H14N4O3S — CID 35271562

IUPACN-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nonc1COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C18H14N4O3S/c1-11-15(22-25-21-11)10-24-13-8-6-12(7-9-13)17(23)20-18-19-14-4-2-3-5-16(14)26-18/h2-9H,10H2,1H3,(H,19,20,23)
InChIKeySNQLLKNFUGQDEX-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.82
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide

N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 35271562) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
PubChem CID35271562
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nonc1COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C18H14N4O3S/c1-11-15(22-25-21-11)10-24-13-8-6-12(7-9-13)17(23)20-18-19-14-4-2-3-5-16(14)26-18/h2-9H,10H2,1H3,(H,19,20,23)
InChIKeySNQLLKNFUGQDEX-UHFFFAOYSA-N
XLogP3.82
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 35271575
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 162691673
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-[1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4811593
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
4-[(Z)-2-(aminomethyl)-4-(fluoroamino)but-2-enoxy]-N-(1,3-benzothiazol-2-yl)benzamide
CID 146477459
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide (CID 35271562) is N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide is Cc1nonc1COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is SNQLLKNFUGQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-11-15(22-25-21-11)10-24-13-8-6-12(7-9-13)17(23)20-18-19-14-4-2-3-5-16(14)26-18/h2-9H,10H2,1H3,(H,19,20,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide?
N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 366.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 35271562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).