N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide

C8H6BrN3OS — CID 5375065

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C8H6BrN3OS/c9-7-2-1-6(14-7)5-11-12-8(13)3-4-10/h1-2,5H,3H2,(H,12,13)/b11-5-
InChIKeyCNLPOKJCNDSJFT-WZUFQYTHSA-N
MW272.13 g/mol
LogP1.87
Rot. Bonds3

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide (PubChem CID 5375065) has the molecular formula C8H6BrN3OS and a molecular weight of 272.13 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
PubChem CID5375065
Molecular FormulaC8H6BrN3OS
Molecular Weight272.13 g/mol
Exact Mass270.94
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C8H6BrN3OS/c9-7-2-1-6(14-7)5-11-12-8(13)3-4-10/h1-2,5H,3H2,(H,12,13)/b11-5-
InChIKeyCNLPOKJCNDSJFT-WZUFQYTHSA-N
XLogP1.87
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884016
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-cyanoacetamide
CID 4511358
tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate
CID 6391739

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide (CID 5375065) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide is N#CCC(=O)N/N=C\c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide?
The InChIKey is CNLPOKJCNDSJFT-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H6BrN3OS/c9-7-2-1-6(14-7)5-11-12-8(13)3-4-10/h1-2,5H,3H2,(H,12,13)/b11-5-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide has a molecular weight of 272.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 5375065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).