N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide

C16H14N2O2S — CID 57243108

IUPACN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13-14(10-12)21-15(18-13)8-9-17-16(20)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,17,20)
InChIKeyXMLFTRHYOQCNQY-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide

N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide (PubChem CID 57243108) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
PubChem CID57243108
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13-14(10-12)21-15(18-13)8-9-17-16(20)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,17,20)
InChIKeyXMLFTRHYOQCNQY-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57009467
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 57207970
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 57307039
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[4-[2-(1,3-benzothiazol-2-yl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46823942
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 78830046
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide (CID 57243108) is N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc2ccc(O)cc2s1)c1ccccc1.
What is the InChIKey of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
The InChIKey is XMLFTRHYOQCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-12-6-7-13-14(10-12)21-15(18-13)8-9-17-16(20)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,17,20).
What are the key properties of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 57243108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).