3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide

C16H12Cl2N2O2S — CID 57009467

IUPAC3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2S/c17-10-5-9(6-11(18)7-10)16(22)19-4-3-15-20-13-2-1-12(21)8-14(13)23-15/h1-2,5-8,21H,3-4H2,(H,19,22)
InChIKeyODAHQJNFYBWNHL-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.28
Rot. Bonds4

About 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide

3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide (PubChem CID 57009467) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
PubChem CID57009467
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC Name3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2S/c17-10-5-9(6-11(18)7-10)16(22)19-4-3-15-20-13-2-1-12(21)8-14(13)23-15/h1-2,5-8,21H,3-4H2,(H,19,22)
InChIKeyODAHQJNFYBWNHL-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 57207970
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 57307039
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[4-[2-(1,3-benzothiazol-2-yl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46823942
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 78830046
3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972888
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
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chlorobenzamide
CID 46823827

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide (CID 57009467) is 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc2ccc(O)cc2s1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
The InChIKey is ODAHQJNFYBWNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-10-5-9(6-11(18)7-10)16(22)19-4-3-15-20-13-2-1-12(21)8-14(13)23-15/h1-2,5-8,21H,3-4H2,(H,19,22).
What are the key properties of 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide?
3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide has a molecular weight of 367.26 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 57009467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).