N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide

C16H14N2O2S — CID 673613

IUPACN-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2O2S/c1-2-20-12-9-7-11(8-10-12)15(19)18-16-17-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyUQAGFMKLHGHQIQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.95
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide (PubChem CID 673613) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide
PubChem CID673613
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2O2S/c1-2-20-12-9-7-11(8-10-12)15(19)18-16-17-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyUQAGFMKLHGHQIQ-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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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide
CID 60148068
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide (CID 673613) is N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
The InChIKey is UQAGFMKLHGHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-12-9-7-11(8-10-12)15(19)18-16-17-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide 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-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide is sourced from PubChem (CID 673613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).