2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide

C15H13BrN4OS — CID 91680506

IUPAC2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)cc2sc(NN)nc12
InChIInChI=1S/C15H13BrN4OS/c1-8-6-9(7-12-13(8)19-15(20-17)22-12)18-14(21)10-4-2-3-5-11(10)16/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyGIPMEKZSRCRLHM-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.91
Rot. Bonds3

About 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide

2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 91680506) has the molecular formula C15H13BrN4OS and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID91680506
Molecular FormulaC15H13BrN4OS
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC Name2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)cc2sc(NN)nc12
InChIInChI=1S/C15H13BrN4OS/c1-8-6-9(7-12-13(8)19-15(20-17)22-12)18-14(21)10-4-2-3-5-11(10)16/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyGIPMEKZSRCRLHM-UHFFFAOYSA-N
XLogP3.91
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methoxynaphthalene-2-carboxamide
CID 91680985
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 91680364
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
CID 91680875
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide (CID 91680506) is 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1cc(NC(=O)c2ccccc2Br)cc2sc(NN)nc12.
What is the InChIKey of 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is GIPMEKZSRCRLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4OS/c1-8-6-9(7-12-13(8)19-15(20-17)22-12)18-14(21)10-4-2-3-5-11(10)16/h2-7H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 377.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 91680506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).