2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C11H11N3OS2 — CID 859493

IUPAC2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1nccs1
InChIInChI=1S/C11H11N3OS2/c12-8-3-1-2-4-9(8)17-7-10(15)14-11-13-5-6-16-11/h1-6H,7,12H2,(H,13,14,15)
InChIKeyGCTASGGFLNJOKN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.46
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 859493) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID859493
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1nccs1
InChIInChI=1S/C11H11N3OS2/c12-8-3-1-2-4-9(8)17-7-10(15)14-11-13-5-6-16-11/h1-6H,7,12H2,(H,13,14,15)
InChIKeyGCTASGGFLNJOKN-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 859493) is 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Nc1ccccc1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GCTASGGFLNJOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c12-8-3-1-2-4-9(8)17-7-10(15)14-11-13-5-6-16-11/h1-6H,7,12H2,(H,13,14,15).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 859493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).