N-(thiophen-2-ylmethylideneamino)aniline

C11H10N2S — CID 2822726

IUPACN-(thiophen-2-ylmethylideneamino)aniline
SMILESC(=NNc1ccccc1)c1cccs1
InChIInChI=1S/C11H10N2S/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-9,13H
InChIKeyROJRSTYMUAGWKC-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.19
Rot. Bonds3

About N-(thiophen-2-ylmethylideneamino)aniline

N-(thiophen-2-ylmethylideneamino)aniline (PubChem CID 2822726) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylideneamino)aniline
PubChem CID2822726
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC NameN-(thiophen-2-ylmethylideneamino)aniline
SMILESC(=NNc1ccccc1)c1cccs1
InChIInChI=1S/C11H10N2S/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-9,13H
InChIKeyROJRSTYMUAGWKC-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_B(4)', 'substructure': 'N/A'}, {'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-(thiophen-2-ylmethylideneamino)aniline?
The IUPAC name of N-(thiophen-2-ylmethylideneamino)aniline (CID 2822726) is N-(thiophen-2-ylmethylideneamino)aniline.
What is the SMILES notation for N-(thiophen-2-ylmethylideneamino)aniline?
The canonical SMILES for N-(thiophen-2-ylmethylideneamino)aniline is C(=NNc1ccccc1)c1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethylideneamino)aniline?
The InChIKey is ROJRSTYMUAGWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-9,13H.
What are the key properties of N-(thiophen-2-ylmethylideneamino)aniline?
N-(thiophen-2-ylmethylideneamino)aniline has a molecular weight of 202.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylideneamino)aniline is sourced from PubChem (CID 2822726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).