N-[(E)-butylideneamino]thiophene-2-carboxamide

C9H12N2OS — CID 6114128

IUPACN-[(E)-butylideneamino]thiophene-2-carboxamide
SMILESCCC/C=N/NC(=O)c1cccs1
InChIInChI=1S/C9H12N2OS/c1-2-3-6-10-11-9(12)8-5-4-7-13-8/h4-7H,2-3H2,1H3,(H,11,12)/b10-6+
InChIKeyLVFHXVNXRVWSPH-UXBLZVDNSA-N
MW196.28 g/mol
LogP2.26
Rot. Bonds4

About N-[(E)-butylideneamino]thiophene-2-carboxamide

N-[(E)-butylideneamino]thiophene-2-carboxamide (PubChem CID 6114128) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-[(E)-butylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-butylideneamino]thiophene-2-carboxamide
PubChem CID6114128
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-[(E)-butylideneamino]thiophene-2-carboxamide
SMILESCCC/C=N/NC(=O)c1cccs1
InChIInChI=1S/C9H12N2OS/c1-2-3-6-10-11-9(12)8-5-4-7-13-8/h4-7H,2-3H2,1H3,(H,11,12)/b10-6+
InChIKeyLVFHXVNXRVWSPH-UXBLZVDNSA-N
XLogP2.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-(butylideneamino)-5-fluorothiophene-2-carboxamide
CID 171133999
2-(butylideneamino)-1-thiophen-2-ylethanone
CID 58171418
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
CID 177392116
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 5426374
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-oxo-4-(propylamino)butan-2-ylidene]amino]thiophene-2-carboxamide
CID 3108534
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
4-bromo-N-[(Z)-butylideneamino]benzamide
CID 6262530
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-butylideneamino]thiophene-2-carboxamide (CID 6114128) is N-[(E)-butylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-butylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-butylideneamino]thiophene-2-carboxamide is CCC/C=N/NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-butylideneamino]thiophene-2-carboxamide?
The InChIKey is LVFHXVNXRVWSPH-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-3-6-10-11-9(12)8-5-4-7-13-8/h4-7H,2-3H2,1H3,(H,11,12)/b10-6+.
What are the key properties of N-[(E)-butylideneamino]thiophene-2-carboxamide?
N-[(E)-butylideneamino]thiophene-2-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6114128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).