N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide

C14H7Cl2FN2OS — CID 154852347

IUPACN-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1F)c1cccc2scnc12
InChIInChI=1S/C14H7Cl2FN2OS/c15-7-4-9(16)12(17)10(5-7)19-14(20)8-2-1-3-11-13(8)18-6-21-11/h1-6H,(H,19,20)
InChIKeyWGPHVOGELFINAZ-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.99
Rot. Bonds2

About N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide

N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide (PubChem CID 154852347) has the molecular formula C14H7Cl2FN2OS and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide
PubChem CID154852347
Molecular FormulaC14H7Cl2FN2OS
Molecular Weight341.19 g/mol
Exact Mass339.96
IUPAC NameN-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1F)c1cccc2scnc12
InChIInChI=1S/C14H7Cl2FN2OS/c15-7-4-9(16)12(17)10(5-7)19-14(20)8-2-1-3-11-13(8)18-6-21-11/h1-6H,(H,19,20)
InChIKeyWGPHVOGELFINAZ-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-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

N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
CID 102979090
4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 107793809
2-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide
CID 169100495
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107951874
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide (CID 154852347) is N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1F)c1cccc2scnc12.
What is the InChIKey of N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide?
The InChIKey is WGPHVOGELFINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2OS/c15-7-4-9(16)12(17)10(5-7)19-14(20)8-2-1-3-11-13(8)18-6-21-11/h1-6H,(H,19,20).
What are the key properties of N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide?
N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide has a molecular weight of 341.19 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 154852347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).