N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide

C11H10BrN3OS — CID 9025434

IUPACN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrN3OS/c1-7(9-4-5-10(12)17-9)14-15-11(16)8-3-2-6-13-8/h2-6,13H,1H3,(H,15,16)/b14-7-
InChIKeyJDJUZSWPVPEHLN-AUWJEWJLSA-N
MW312.19 g/mol
LogP2.99
Rot. Bonds3

About N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9025434) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9025434
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrN3OS/c1-7(9-4-5-10(12)17-9)14-15-11(16)8-3-2-6-13-8/h2-6,13H,1H3,(H,15,16)/b14-7-
InChIKeyJDJUZSWPVPEHLN-AUWJEWJLSA-N
XLogP2.99
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylate
CID 8872528
4-bromo-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982536
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6345926
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3537672
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026979
2-bromo-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135775128
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide
CID 6386438
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
CID 21157533
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide (CID 9025434) is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide is C/C(=N/NC(=O)c1ccc[nH]1)c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is JDJUZSWPVPEHLN-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-7(9-4-5-10(12)17-9)14-15-11(16)8-3-2-6-13-8/h2-6,13H,1H3,(H,15,16)/b14-7-.
What are the key properties of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9025434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).