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

C16H14N2O3S — CID 584692

IUPAC2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(OC)cccc2s1
InChIInChI=1S/C16H14N2O3S/c1-20-11-7-4-3-6-10(11)15(19)18-16-17-14-12(21-2)8-5-9-13(14)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyRNPLBPCNRPDEHG-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

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

2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 584692) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID584692
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(OC)cccc2s1
InChIInChI=1S/C16H14N2O3S/c1-20-11-7-4-3-6-10(11)15(19)18-16-17-14-12(21-2)8-5-9-13(14)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyRNPLBPCNRPDEHG-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 584692) is 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccccc1C(=O)Nc1nc2c(OC)cccc2s1.
What is the InChIKey of 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RNPLBPCNRPDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-11-7-4-3-6-10(11)15(19)18-16-17-14-12(21-2)8-5-9-13(14)22-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-methoxy-N-(4-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 2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 584692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).