[amino(thiophen-2-yl)methylidene]-phenylazanium

C11H11N2S+ — CID 149131478

IUPAC[amino(thiophen-2-yl)methylidene]-phenylazanium
SMILESN/C(=[NH+]\c1ccccc1)c1cccs1
InChIInChI=1S/C11H10N2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H,(H2,12,13)/p+1
InChIKeyRCORNHOUCUDCAC-UHFFFAOYSA-O
MW203.29 g/mol
LogP0.87
Rot. Bonds2

About [amino(thiophen-2-yl)methylidene]-phenylazanium

[amino(thiophen-2-yl)methylidene]-phenylazanium (PubChem CID 149131478) has the molecular formula C11H11N2S+ and a molecular weight of 203.29 g/mol. Its IUPAC name is [amino(thiophen-2-yl)methylidene]-phenylazanium.

Molecular Properties

Compound Name[amino(thiophen-2-yl)methylidene]-phenylazanium
PubChem CID149131478
Molecular FormulaC11H11N2S+
Molecular Weight203.29 g/mol
Exact Mass203.06
IUPAC Name[amino(thiophen-2-yl)methylidene]-phenylazanium
SMILESN/C(=[NH+]\c1ccccc1)c1cccs1
InChIInChI=1S/C11H10N2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H,(H2,12,13)/p+1
InChIKeyRCORNHOUCUDCAC-UHFFFAOYSA-O
XLogP0.87
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
benzamide;thiophene-2-carboxamide
CID 174752818
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide
CID 177389050
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
formic acid;thiophene-2-carboxamide
CID 118356394
formaldehyde;thiophene-2-carboxylic acid
CID 158716916

Frequently Asked Questions

What is the IUPAC name of [amino(thiophen-2-yl)methylidene]-phenylazanium?
The IUPAC name of [amino(thiophen-2-yl)methylidene]-phenylazanium (CID 149131478) is [amino(thiophen-2-yl)methylidene]-phenylazanium.
What is the SMILES notation for [amino(thiophen-2-yl)methylidene]-phenylazanium?
The canonical SMILES for [amino(thiophen-2-yl)methylidene]-phenylazanium is N/C(=[NH+]\c1ccccc1)c1cccs1.
What is the InChIKey of [amino(thiophen-2-yl)methylidene]-phenylazanium?
The InChIKey is RCORNHOUCUDCAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10N2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H,(H2,12,13)/p+1.
What are the key properties of [amino(thiophen-2-yl)methylidene]-phenylazanium?
[amino(thiophen-2-yl)methylidene]-phenylazanium has a molecular weight of 203.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(thiophen-2-yl)methylidene]-phenylazanium is sourced from PubChem (CID 149131478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).