N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C17H16N2O3S — CID 19214365

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3OC)nc12
InChIInChI=1S/C17H16N2O3S/c1-3-22-13-9-6-10-14-15(13)18-17(23-14)19-16(20)11-7-4-5-8-12(11)21-2/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyJQKTULVHOFNLMY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.96
Rot. Bonds5

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 19214365) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID19214365
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3OC)nc12
InChIInChI=1S/C17H16N2O3S/c1-3-22-13-9-6-10-14-15(13)18-17(23-14)19-16(20)11-7-4-5-8-12(11)21-2/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyJQKTULVHOFNLMY-UHFFFAOYSA-N
XLogP3.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 19214365) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide is CCOc1cccc2sc(NC(=O)c3ccccc3OC)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is JQKTULVHOFNLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-22-13-9-6-10-14-15(13)18-17(23-14)19-16(20)11-7-4-5-8-12(11)21-2/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 19214365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).