N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide

C12H9IN2OS — CID 6910346

IUPACN-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1I)c1cccs1
InChIInChI=1S/C12H9IN2OS/c13-10-5-2-1-4-9(10)8-14-15-12(16)11-6-3-7-17-11/h1-8H,(H,15,16)/b14-8+
InChIKeyZBYOKZUHIZKCTI-RIYZIHGNSA-N
MW356.19 g/mol
LogP3.12
Rot. Bonds3

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

N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6910346) has the molecular formula C12H9IN2OS and a molecular weight of 356.19 g/mol. Its IUPAC name is N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6910346
Molecular FormulaC12H9IN2OS
Molecular Weight356.19 g/mol
Exact Mass355.95
IUPAC NameN-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1I)c1cccs1
InChIInChI=1S/C12H9IN2OS/c13-10-5-2-1-4-9(10)8-14-15-12(16)11-6-3-7-17-11/h1-8H,(H,15,16)/b14-8+
InChIKeyZBYOKZUHIZKCTI-RIYZIHGNSA-N
XLogP3.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284890
4-hydroxy-N-[(E)-(2-iodophenyl)methylideneamino]benzamide
CID 6906211
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 50929991
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
CID 136782120
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 3657523
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
CID 4981001
N'-[(E)-(2-iodophenyl)methylideneamino]oxamide
CID 6910277
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
CID 177392116

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide (CID 6910346) is N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccccc1I)c1cccs1.
What is the InChIKey of N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is ZBYOKZUHIZKCTI-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H9IN2OS/c13-10-5-2-1-4-9(10)8-14-15-12(16)11-6-3-7-17-11/h1-8H,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 356.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6910346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).