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

C14H10BrClN4OS — CID 91680524

IUPAC4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
SMILESNNc1nc2c(Cl)cc(NC(=O)c3ccc(Br)cc3)cc2s1
InChIInChI=1S/C14H10BrClN4OS/c15-8-3-1-7(2-4-8)13(21)18-9-5-10(16)12-11(6-9)22-14(19-12)20-17/h1-6H,17H2,(H,18,21)(H,19,20)
InChIKeyQAJUHGUIIHKYIG-UHFFFAOYSA-N
MW397.69 g/mol
LogP4.25
Rot. Bonds3

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

4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 91680524) has the molecular formula C14H10BrClN4OS and a molecular weight of 397.69 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID91680524
Molecular FormulaC14H10BrClN4OS
Molecular Weight397.69 g/mol
Exact Mass395.94
IUPAC Name4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
SMILESNNc1nc2c(Cl)cc(NC(=O)c3ccc(Br)cc3)cc2s1
InChIInChI=1S/C14H10BrClN4OS/c15-8-3-1-7(2-4-8)13(21)18-9-5-10(16)12-11(6-9)22-14(19-12)20-17/h1-6H,17H2,(H,18,21)(H,19,20)
InChIKeyQAJUHGUIIHKYIG-UHFFFAOYSA-N
XLogP4.25
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.69
LogP ≤ 54.25
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

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 91680619
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 91680643
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680670
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
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 91680763
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide (CID 91680524) is 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide is NNc1nc2c(Cl)cc(NC(=O)c3ccc(Br)cc3)cc2s1.
What is the InChIKey of 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is QAJUHGUIIHKYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4OS/c15-8-3-1-7(2-4-8)13(21)18-9-5-10(16)12-11(6-9)22-14(19-12)20-17/h1-6H,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 397.69 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 91680524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).