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

C14H9ClN2OS — CID 587146

IUPACN-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18)
InChIKeyAILFLXLQHGXWAO-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.20
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide (PubChem CID 587146) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
PubChem CID587146
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18)
InChIKeyAILFLXLQHGXWAO-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.20
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-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide (CID 587146) is N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide is O=C(Nc1nc2ccccc2s1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
The InChIKey is AILFLXLQHGXWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide has a molecular weight of 288.76 g/mol, XLogP of 4.20, 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-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 587146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).