4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C16H14N2O3S — CID 584682

IUPAC4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C16H14N2O3S/c1-20-11-5-3-10(4-6-11)15(19)18-16-17-13-8-7-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyFESSLFCHRGAANQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

About 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 584682) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID584682
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C16H14N2O3S/c1-20-11-5-3-10(4-6-11)15(19)18-16-17-13-8-7-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyFESSLFCHRGAANQ-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxy-N-methylanilino)sulfanylbenzamide
CID 139506275

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 584682) is 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FESSLFCHRGAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-11-5-3-10(4-6-11)15(19)18-16-17-13-8-7-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 584682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).