N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C12H10BrN3O2S — CID 8884016

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C12H10BrN3O2S/c13-10-5-4-9(19-10)7-14-15-11(17)8-16-6-2-1-3-12(16)18/h1-7H,8H2,(H,15,17)/b14-7-
InChIKeyGRWGNDBBGFSNIR-AUWJEWJLSA-N
MW340.20 g/mol
LogP1.82
Rot. Bonds4

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8884016) has the molecular formula C12H10BrN3O2S and a molecular weight of 340.20 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8884016
Molecular FormulaC12H10BrN3O2S
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C12H10BrN3O2S/c13-10-5-4-9(19-10)7-14-15-11(17)8-16-6-2-1-3-12(16)18/h1-7H,8H2,(H,15,17)/b14-7-
InChIKeyGRWGNDBBGFSNIR-AUWJEWJLSA-N
XLogP1.82
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
2-(2-oxo-1-pyridinyl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 8883298
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702532
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
CID 8883336
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 5432164
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8884016) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N/N=C\c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is GRWGNDBBGFSNIR-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H10BrN3O2S/c13-10-5-4-9(19-10)7-14-15-11(17)8-16-6-2-1-3-12(16)18/h1-7H,8H2,(H,15,17)/b14-7-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 340.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8884016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).