N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide

C15H11BrCl2N4O2S — CID 91680670

IUPACN-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1Cl
InChIInChI=1S/C15H11BrCl2N4O2S/c1-24-13-9(17)2-6(3-10(13)18)14(23)20-7-4-8(16)12-11(5-7)25-15(21-12)22-19/h2-5H,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyYFGSZFBUVSJGDV-UHFFFAOYSA-N
MW462.16 g/mol
LogP4.91
Rot. Bonds4

About N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide

N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 91680670) has the molecular formula C15H11BrCl2N4O2S and a molecular weight of 462.16 g/mol. Its IUPAC name is N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
PubChem CID91680670
Molecular FormulaC15H11BrCl2N4O2S
Molecular Weight462.16 g/mol
Exact Mass459.92
IUPAC NameN-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1Cl
InChIInChI=1S/C15H11BrCl2N4O2S/c1-24-13-9(17)2-6(3-10(13)18)14(23)20-7-4-8(16)12-11(5-7)25-15(21-12)22-19/h2-5H,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyYFGSZFBUVSJGDV-UHFFFAOYSA-N
XLogP4.91
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.16
LogP ≤ 54.91
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-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 91680619
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methoxynaphthalene-2-carboxamide
CID 91680985
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
CID 91680875
2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680506
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide (CID 91680670) is N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1Cl.
What is the InChIKey of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is YFGSZFBUVSJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N4O2S/c1-24-13-9(17)2-6(3-10(13)18)14(23)20-7-4-8(16)12-11(5-7)25-15(21-12)22-19/h2-5H,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 462.16 g/mol, XLogP of 4.91, 4 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)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 91680670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).