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

C15H13BrN4O2S — CID 91680875

IUPACN-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
SMILESNNc1nc2c(Br)cc(NC(=O)COc3ccccc3)cc2s1
InChIInChI=1S/C15H13BrN4O2S/c16-11-6-9(7-12-14(11)19-15(20-17)23-12)18-13(21)8-22-10-4-2-1-3-5-10/h1-7H,8,17H2,(H,18,21)(H,19,20)
InChIKeyUDZNJWUWNFHDPD-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.36
Rot. Bonds5

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

N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide (PubChem CID 91680875) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
PubChem CID91680875
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC NameN-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
SMILESNNc1nc2c(Br)cc(NC(=O)COc3ccccc3)cc2s1
InChIInChI=1S/C15H13BrN4O2S/c16-11-6-9(7-12-14(11)19-15(20-17)23-12)18-13(21)8-22-10-4-2-1-3-5-10/h1-7H,8,17H2,(H,18,21)(H,19,20)
InChIKeyUDZNJWUWNFHDPD-UHFFFAOYSA-N
XLogP3.36
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 91680783
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989482
2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680506
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680670
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide (CID 91680875) is N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide is NNc1nc2c(Br)cc(NC(=O)COc3ccccc3)cc2s1.
What is the InChIKey of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
The InChIKey is UDZNJWUWNFHDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c16-11-6-9(7-12-14(11)19-15(20-17)23-12)18-13(21)8-22-10-4-2-1-3-5-10/h1-7H,8,17H2,(H,18,21)(H,19,20).
What are the key properties of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide has a molecular weight of 393.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide is sourced from PubChem (CID 91680875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).