6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C15H12ClN3OS — CID 26243830

IUPAC6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3ccc(Cl)nc3)sc2c1
InChIInChI=1S/C15H12ClN3OS/c1-2-9-3-5-11-12(7-9)21-15(18-11)19-14(20)10-4-6-13(16)17-8-10/h3-8H,2H2,1H3,(H,18,19,20)
InChIKeyWREVVFOTJDIPDL-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.16
Rot. Bonds3

About 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 26243830) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID26243830
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3ccc(Cl)nc3)sc2c1
InChIInChI=1S/C15H12ClN3OS/c1-2-9-3-5-11-12(7-9)21-15(18-11)19-14(20)10-4-6-13(16)17-8-10/h3-8H,2H2,1H3,(H,18,19,20)
InChIKeyWREVVFOTJDIPDL-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxybenzotriazole-5-carboxamide
CID 2103166
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 35996022
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
4-ethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2991104
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769
4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3456818

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 26243830) is 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is CCc1ccc2nc(NC(=O)c3ccc(Cl)nc3)sc2c1.
What is the InChIKey of 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WREVVFOTJDIPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-2-9-3-5-11-12(7-9)21-15(18-11)19-14(20)10-4-6-13(16)17-8-10/h3-8H,2H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 26243830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).