(NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine

C10H8N2OS — CID 11264173

IUPAC(NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(-c2cccnc2)s1
InChIInChI=1S/C10H8N2OS/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+
InChIKeyHRTKQHILWNVFIX-KPKJPENVSA-N
MW204.25 g/mol
LogP2.62
Rot. Bonds2

About (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 11264173) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID11264173
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name(NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(-c2cccnc2)s1
InChIInChI=1S/C10H8N2OS/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+
InChIKeyHRTKQHILWNVFIX-KPKJPENVSA-N
XLogP2.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine (CID 11264173) is (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine is O/N=C/c1ccc(-c2cccnc2)s1.
What is the InChIKey of (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is HRTKQHILWNVFIX-KPKJPENVSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+.
What are the key properties of (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 204.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-pyridin-3-ylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 11264173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).