3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide

C13H7Cl2N3OS — CID 66483517

IUPAC3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)c1ccncc1Cl
InChIInChI=1S/C13H7Cl2N3OS/c14-8-1-2-10-12(17-6-20-10)11(8)18-13(19)7-3-4-16-5-9(7)15/h1-6H,(H,18,19)
InChIKeyBLBXRJNCKGZNKY-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.25
Rot. Bonds2

About 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide

3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide (PubChem CID 66483517) has the molecular formula C13H7Cl2N3OS and a molecular weight of 324.19 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
PubChem CID66483517
Molecular FormulaC13H7Cl2N3OS
Molecular Weight324.19 g/mol
Exact Mass322.97
IUPAC Name3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)c1ccncc1Cl
InChIInChI=1S/C13H7Cl2N3OS/c14-8-1-2-10-12(17-6-20-10)11(8)18-13(19)7-3-4-16-5-9(7)15/h1-6H,(H,18,19)
InChIKeyBLBXRJNCKGZNKY-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 107793809
N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
CID 102979090
3-bromo-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107999354
3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 43699875
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107951874
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55114948
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192842
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide (CID 66483517) is 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide is O=C(Nc1c(Cl)ccc2scnc12)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
The InChIKey is BLBXRJNCKGZNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3OS/c14-8-1-2-10-12(17-6-20-10)11(8)18-13(19)7-3-4-16-5-9(7)15/h1-6H,(H,18,19).
What are the key properties of 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide has a molecular weight of 324.19 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).