N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide

C14H11N3O2S — CID 921152

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H11N3O2S/c18-12(8-9-4-3-7-20-9)16-17-13-10-5-1-2-6-11(10)15-14(13)19/h1-7,15,19H,8H2/b17-16+
InChIKeyLPBAQRWWZPYXBP-WUKNDPDISA-N
MW285.33 g/mol
LogP3.79
Rot. Bonds3

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide (PubChem CID 921152) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide
PubChem CID921152
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H11N3O2S/c18-12(8-9-4-3-7-20-9)16-17-13-10-5-1-2-6-11(10)15-14(13)19/h1-7,15,19H,8H2/b17-16+
InChIKeyLPBAQRWWZPYXBP-WUKNDPDISA-N
XLogP3.79
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide (CID 921152) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide?
The InChIKey is LPBAQRWWZPYXBP-WUKNDPDISA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-12(8-9-4-3-7-20-9)16-17-13-10-5-1-2-6-11(10)15-14(13)19/h1-7,15,19H,8H2/b17-16+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide has a molecular weight of 285.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 921152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).