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

C15H12N2O2S — CID 835360

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyADVAKZKECLPQAL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 835360) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID835360
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyADVAKZKECLPQAL-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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Related Compounds

Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
US10251893, Cpd 6
CID 46926811
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
2,2-dibromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropanecarboxamide
CID 4171316
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 835360) is N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ADVAKZKECLPQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-(6-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-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 835360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).