N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide

C15H10BrClN2OS — CID 42387958

IUPACN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
SMILESCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(Br)c21
InChIInChI=1S/C15H10BrClN2OS/c1-19-13-10(16)6-4-8-12(13)21-15(19)18-14(20)9-5-2-3-7-11(9)17/h2-8H,1H3/b18-15-
InChIKeySKWYJMSTWGCZGJ-SDXDJHTJSA-N
MW381.68 g/mol
LogP4.40
Rot. Bonds1

About N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide

N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide (PubChem CID 42387958) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
PubChem CID42387958
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC NameN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
SMILESCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(Br)c21
InChIInChI=1S/C15H10BrClN2OS/c1-19-13-10(16)6-4-8-12(13)21-15(19)18-14(20)9-5-2-3-7-11(9)17/h2-8H,1H3/b18-15-
InChIKeySKWYJMSTWGCZGJ-SDXDJHTJSA-N
XLogP4.40
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide 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-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151031
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 2104662
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 42388106
3-chloro-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 3324264
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 7154009
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
CID 41260676
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide
CID 41235531
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 41235670

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide?
The IUPAC name of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide (CID 42387958) is N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide is Cn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(Br)c21.
What is the InChIKey of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide?
The InChIKey is SKWYJMSTWGCZGJ-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c1-19-13-10(16)6-4-8-12(13)21-15(19)18-14(20)9-5-2-3-7-11(9)17/h2-8H,1H3/b18-15-.
What are the key properties of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide?
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide has a molecular weight of 381.68 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide is sourced from PubChem (CID 42387958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).