N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide

C15H9BrCl2N2OS — CID 4056926

IUPACN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
SMILESCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(Br)ccc21
InChIInChI=1S/C15H9BrCl2N2OS/c1-20-12-5-2-8(16)6-13(12)22-15(20)19-14(21)10-4-3-9(17)7-11(10)18/h2-7H,1H3/b19-15-
InChIKeySGRBRTAXBCKKIY-CYVLTUHYSA-N
MW416.13 g/mol
LogP5.05
Rot. Bonds1

About N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide

N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide (PubChem CID 4056926) has the molecular formula C15H9BrCl2N2OS and a molecular weight of 416.13 g/mol. Its IUPAC name is N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
PubChem CID4056926
Molecular FormulaC15H9BrCl2N2OS
Molecular Weight416.13 g/mol
Exact Mass413.90
IUPAC NameN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
SMILESCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(Br)ccc21
InChIInChI=1S/C15H9BrCl2N2OS/c1-20-12-5-2-8(16)6-13(12)22-15(20)19-14(21)10-4-3-9(17)7-11(10)18/h2-7H,1H3/b19-15-
InChIKeySGRBRTAXBCKKIY-CYVLTUHYSA-N
XLogP5.05
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.13
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3563157
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide
CID 41004884
2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984080
N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,5-dichlorobenzamide
CID 4517823
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979791
2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 5079939
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 4666362
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
2,4-dichloro-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984974
2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134090

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide?
The IUPAC name of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide (CID 4056926) is N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide?
The canonical SMILES for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide is Cn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(Br)ccc21.
What is the InChIKey of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide?
The InChIKey is SGRBRTAXBCKKIY-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2OS/c1-20-12-5-2-8(16)6-13(12)22-15(20)19-14(21)10-4-3-9(17)7-11(10)18/h2-7H,1H3/b19-15-.
What are the key properties of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide?
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide has a molecular weight of 416.13 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide is sourced from PubChem (CID 4056926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).