N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide

C13H14N2O2S — CID 6368374

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESC/C(=N/NC(=O)c1csc(C)c1C)c1ccco1
InChIInChI=1S/C13H14N2O2S/c1-8-10(3)18-7-11(8)13(16)15-14-9(2)12-5-4-6-17-12/h4-7H,1-3H3,(H,15,16)/b14-9-
InChIKeyPXQDRLKPDIAMHV-ZROIWOOFSA-N
MW262.33 g/mol
LogP3.11
Rot. Bonds3

About N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 6368374) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID6368374
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESC/C(=N/NC(=O)c1csc(C)c1C)c1ccco1
InChIInChI=1S/C13H14N2O2S/c1-8-10(3)18-7-11(8)13(16)15-14-9(2)12-5-4-6-17-12/h4-7H,1-3H3,(H,15,16)/b14-9-
InChIKeyPXQDRLKPDIAMHV-ZROIWOOFSA-N
XLogP3.11
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6842495
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 6368374) is N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide is C/C(=N/NC(=O)c1csc(C)c1C)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is PXQDRLKPDIAMHV-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-10(3)18-7-11(8)13(16)15-14-9(2)12-5-4-6-17-12/h4-7H,1-3H3,(H,15,16)/b14-9-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 6368374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).