N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide

C13H12N2OS2 — CID 6878439

IUPACN-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCSc1ccc(/C=N/NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2OS2/c1-17-11-6-4-10(5-7-11)9-14-15-13(16)12-3-2-8-18-12/h2-9H,1H3,(H,15,16)/b14-9+
InChIKeyQWELGMUGFFBQHL-NTEUORMPSA-N
MW276.39 g/mol
LogP3.23
Rot. Bonds4

About N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6878439) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6878439
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCSc1ccc(/C=N/NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2OS2/c1-17-11-6-4-10(5-7-11)9-14-15-13(16)12-3-2-8-18-12/h2-9H,1H3,(H,15,16)/b14-9+
InChIKeyQWELGMUGFFBQHL-NTEUORMPSA-N
XLogP3.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.23
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-[2-[[(4-methylsulfanylphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284880
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 171133970
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 841409
N-[(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 761333
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402665
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
CID 1177176
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide (CID 6878439) is N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide is CSc1ccc(/C=N/NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is QWELGMUGFFBQHL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-17-11-6-4-10(5-7-11)9-14-15-13(16)12-3-2-8-18-12/h2-9H,1H3,(H,15,16)/b14-9+.
What are the key properties of N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 276.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6878439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).