N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide

C15H10ClFN2OS — CID 81481599

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)ccc3scnc23)c1F
InChIInChI=1S/C15H10ClFN2OS/c1-8-3-2-4-9(12(8)17)15(20)19-13-10(16)5-6-11-14(13)18-7-21-11/h2-7H,1H3,(H,19,20)
InChIKeyYWKNJNMCBUJHEV-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.65
Rot. Bonds2

About N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide

N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide (PubChem CID 81481599) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
PubChem CID81481599
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)ccc3scnc23)c1F
InChIInChI=1S/C15H10ClFN2OS/c1-8-3-2-4-9(12(8)17)15(20)19-13-10(16)5-6-11-14(13)18-7-21-11/h2-7H,1H3,(H,19,20)
InChIKeyYWKNJNMCBUJHEV-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide 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-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
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-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 66483517
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide
CID 154852347
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
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
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-6-methylphenol
CID 115951090
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide (CID 81481599) is N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(Cl)ccc3scnc23)c1F.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is YWKNJNMCBUJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c1-8-3-2-4-9(12(8)17)15(20)19-13-10(16)5-6-11-14(13)18-7-21-11/h2-7H,1H3,(H,19,20).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 320.78 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).