N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide

C14H8Cl2N2OS — CID 90643788

IUPACN-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc2scnc2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-3-8(4-10(16)5-9)14(19)18-11-1-2-13-12(6-11)17-7-20-13/h1-7H,(H,18,19)
InChIKeyYOOVEFYJQFOJBL-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.86
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide

N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide (PubChem CID 90643788) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide
PubChem CID90643788
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC NameN-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc2scnc2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-3-8(4-10(16)5-9)14(19)18-11-1-2-13-12(6-11)17-7-20-13/h1-7H,(H,18,19)
InChIKeyYOOVEFYJQFOJBL-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide (CID 90643788) is N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide is O=C(Nc1ccc2scnc2c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide?
The InChIKey is YOOVEFYJQFOJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-9-3-8(4-10(16)5-9)14(19)18-11-1-2-13-12(6-11)17-7-20-13/h1-7H,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide?
N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide has a molecular weight of 323.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 90643788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).