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

C15H12N2O2S — CID 569599

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C15H12N2O2S/c1-19-11-8-5-9-12-13(11)16-15(20-12)17-14(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeyZDBCPDBLXXFMOZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

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

N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 569599) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID569599
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C15H12N2O2S/c1-19-11-8-5-9-12-13(11)16-15(20-12)17-14(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeyZDBCPDBLXXFMOZ-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 569599) is N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cccc2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZDBCPDBLXXFMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-11-8-5-9-12-13(11)16-15(20-12)17-14(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 569599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).