N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide

C10H9N3OS — CID 135591376

IUPACN-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccs1
InChIInChI=1S/C10H9N3OS/c14-10(9-4-2-6-15-9)13-12-7-8-3-1-5-11-8/h1-7,11H,(H,13,14)/b12-7+
InChIKeyGCUDKFOETNNDPU-KPKJPENVSA-N
MW219.27 g/mol
LogP1.84
Rot. Bonds3

About N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide

N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide (PubChem CID 135591376) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide
PubChem CID135591376
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccs1
InChIInChI=1S/C10H9N3OS/c14-10(9-4-2-6-15-9)13-12-7-8-3-1-5-11-8/h1-7,11H,(H,13,14)/b12-7+
InChIKeyGCUDKFOETNNDPU-KPKJPENVSA-N
XLogP1.84
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.84
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

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
N'-((1-Methyl-1H-pyrrol-2-YL)methylene)-2-(2-thienyl)acetohydrazide
CID 6862500
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
Isonicotinic acid, 2-thenylidenehydrazide
CID 5469562
2-(1-Methyl-1H-pyrrol-2-YL)-N'-(1-(2-thienyl)ethylidene)acetohydrazide
CID 5395305
3-methyl-N'-[(1E)-1-(pyridin-3-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237301
N'-[(E)-1-(3-pyridinyl)ethylidene]-2-thiophenecarbohydrazide
CID 5395062
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
N-[bis(2-pyridyl)methyleneamino]thiophene-2-carboxamide
CID 10086587
N'-(1-(2-Thienyl)ethylidene)isonicotinohydrazide
CID 5391426
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 6878463

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide (CID 135591376) is N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccc[nH]1)c1cccs1.
What is the InChIKey of N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide?
The InChIKey is GCUDKFOETNNDPU-KPKJPENVSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10(9-4-2-6-15-9)13-12-7-8-3-1-5-11-8/h1-7,11H,(H,13,14)/b12-7+.
What are the key properties of N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide?
N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-pyrrol-2-ylmethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135591376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).