N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine

C15H11BrN2S — CID 11359464

IUPACN-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine
SMILESBrc1ccsc1/C=N/Nc1cccc2ccccc12
InChIInChI=1S/C15H11BrN2S/c16-13-8-9-19-15(13)10-17-18-14-7-3-5-11-4-1-2-6-12(11)14/h1-10,18H/b17-10+
InChIKeyURNIZISBMITAET-LICLKQGHSA-N
MW331.24 g/mol
LogP5.11
Rot. Bonds3

About N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine

N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine (PubChem CID 11359464) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine
PubChem CID11359464
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC NameN-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine
SMILESBrc1ccsc1/C=N/Nc1cccc2ccccc12
InChIInChI=1S/C15H11BrN2S/c16-13-8-9-19-15(13)10-17-18-14-7-3-5-11-4-1-2-6-12(11)14/h1-10,18H/b17-10+
InChIKeyURNIZISBMITAET-LICLKQGHSA-N
XLogP5.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.24
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine?
The IUPAC name of N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine (CID 11359464) is N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine.
What is the SMILES notation for N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine?
The canonical SMILES for N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine is Brc1ccsc1/C=N/Nc1cccc2ccccc12.
What is the InChIKey of N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine?
The InChIKey is URNIZISBMITAET-LICLKQGHSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-13-8-9-19-15(13)10-17-18-14-7-3-5-11-4-1-2-6-12(11)14/h1-10,18H/b17-10+.
What are the key properties of N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine?
N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine has a molecular weight of 331.24 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine is sourced from PubChem (CID 11359464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).