N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide

C14H17N3O2S — CID 5426374

IUPACN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccs2)o1
InChIInChI=1S/C14H17N3O2S/c1-3-17(4-2)13-8-7-11(19-13)10-15-16-14(18)12-6-5-9-20-12/h5-10H,3-4H2,1-2H3,(H,16,18)/b15-10-
InChIKeyAFJXMWRZUCQWFZ-GDNBJRDFSA-N
MW291.38 g/mol
LogP2.95
Rot. Bonds6

About N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide

N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide (PubChem CID 5426374) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
PubChem CID5426374
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccs2)o1
InChIInChI=1S/C14H17N3O2S/c1-3-17(4-2)13-8-7-11(19-13)10-15-16-14(18)12-6-5-9-20-12/h5-10H,3-4H2,1-2H3,(H,16,18)/b15-10-
InChIKeyAFJXMWRZUCQWFZ-GDNBJRDFSA-N
XLogP2.95
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 126003005
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
2-[5-[(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 921616
2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5419728
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide
CID 126002850
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
N-[(E)-[5-(diethylamino)furan-2-yl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194465

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide (CID 5426374) is N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cccs2)o1.
What is the InChIKey of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is AFJXMWRZUCQWFZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-17(4-2)13-8-7-11(19-13)10-15-16-14(18)12-6-5-9-20-12/h5-10H,3-4H2,1-2H3,(H,16,18)/b15-10-.
What are the key properties of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide?
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5426374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).