1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone

C17H12BrNO2S — CID 157156169

IUPAC1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone
SMILESO=C(C/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)s1
InChIInChI=1S/C17H12BrNO2S/c18-17-8-7-16(22-17)15(21)10-19-9-13-12-4-2-1-3-11(12)5-6-14(13)20/h1-9,20H,10H2/b19-9+
InChIKeySLNWXJCAACYABJ-DJKKODMXSA-N
MW374.26 g/mol
LogP4.67
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone

1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone (PubChem CID 157156169) has the molecular formula C17H12BrNO2S and a molecular weight of 374.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone
PubChem CID157156169
Molecular FormulaC17H12BrNO2S
Molecular Weight374.26 g/mol
Exact Mass372.98
IUPAC Name1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone
SMILESO=C(C/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)s1
InChIInChI=1S/C17H12BrNO2S/c18-17-8-7-16(22-17)15(21)10-19-9-13-12-4-2-1-3-11(12)5-6-14(13)20/h1-9,20H,10H2/b19-9+
InChIKeySLNWXJCAACYABJ-DJKKODMXSA-N
XLogP4.67
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone (CID 157156169) is 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone is O=C(C/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone?
The InChIKey is SLNWXJCAACYABJ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12BrNO2S/c18-17-8-7-16(22-17)15(21)10-19-9-13-12-4-2-1-3-11(12)5-6-14(13)20/h1-9,20H,10H2/b19-9+.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone?
1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone has a molecular weight of 374.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone is sourced from PubChem (CID 157156169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).