N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide

C15H11BrN2OS — CID 156781458

IUPACN-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1nsc2ccccc12
InChIInChI=1S/C15H11BrN2OS/c1-9-8-10(16)6-7-11(9)15(19)17-14-12-4-2-3-5-13(12)20-18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyNVCSWGWRVHRIRQ-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.62
Rot. Bonds2

About N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide

N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide (PubChem CID 156781458) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide
PubChem CID156781458
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC NameN-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1nsc2ccccc12
InChIInChI=1S/C15H11BrN2OS/c1-9-8-10(16)6-7-11(9)15(19)17-14-12-4-2-3-5-13(12)20-18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyNVCSWGWRVHRIRQ-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
CID 61068511
N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide
CID 156781452
N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide
CID 156781454
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide (CID 156781458) is N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1nsc2ccccc12.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide?
The InChIKey is NVCSWGWRVHRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c1-9-8-10(16)6-7-11(9)15(19)17-14-12-4-2-3-5-13(12)20-18-14/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide?
N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide has a molecular weight of 347.24 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide is sourced from PubChem (CID 156781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).