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

C16H14N2O2S — CID 718830

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H14N2O2S/c1-2-20-12-8-9-13-14(10-12)21-16(17-13)18-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyRXUWFOLMJIDNMT-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.95
Rot. Bonds4

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 718830) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID718830
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H14N2O2S/c1-2-20-12-8-9-13-14(10-12)21-16(17-13)18-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyRXUWFOLMJIDNMT-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 718830) is N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RXUWFOLMJIDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-12-8-9-13-14(10-12)21-16(17-13)18-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 718830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).