N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide

C14H11N3OS2 — CID 77025114

IUPACN'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1Sc1cccs1
InChIInChI=1S/C14H11N3OS2/c15-13(17-18)10-8-9-4-1-2-5-11(9)16-14(10)20-12-6-3-7-19-12/h1-8,18H,(H2,15,17)
InChIKeyFPHLTFXDKFKUMN-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.54
Rot. Bonds3

About N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide

N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide (PubChem CID 77025114) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide
PubChem CID77025114
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1Sc1cccs1
InChIInChI=1S/C14H11N3OS2/c15-13(17-18)10-8-9-4-1-2-5-11(9)16-14(10)20-12-6-3-7-19-12/h1-8,18H,(H2,15,17)
InChIKeyFPHLTFXDKFKUMN-UHFFFAOYSA-N
XLogP3.54
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide (CID 77025114) is N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide is NC(=NO)c1cc2ccccc2nc1Sc1cccs1.
What is the InChIKey of N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide?
The InChIKey is FPHLTFXDKFKUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c15-13(17-18)10-8-9-4-1-2-5-11(9)16-14(10)20-12-6-3-7-19-12/h1-8,18H,(H2,15,17).
What are the key properties of N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide?
N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide has a molecular weight of 301.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide is sourced from PubChem (CID 77025114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).