N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide

C14H11N3O2S — CID 1481266

IUPACN-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NN=Cc1ccco1)c1sccc1-n1cccc1
InChIInChI=1S/C14H11N3O2S/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18)
InChIKeyBJIHLEGPUOFDIY-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.90
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 1481266) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID1481266
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NN=Cc1ccco1)c1sccc1-n1cccc1
InChIInChI=1S/C14H11N3O2S/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18)
InChIKeyBJIHLEGPUOFDIY-UHFFFAOYSA-N
XLogP2.90
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.90
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

3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide
CID 1481267
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5397151
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide
CID 163138567
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 1481266) is N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(NN=Cc1ccco1)c1sccc1-n1cccc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is BJIHLEGPUOFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18).
What are the key properties of N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 1481266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).