2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C13H15N3OS2 — CID 651106

IUPAC2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2ccccc2N)sc1C
InChIInChI=1S/C13H15N3OS2/c1-8-9(2)19-13(15-8)16-12(17)7-18-11-6-4-3-5-10(11)14/h3-6H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyAOQKEHLFFMTMEW-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.07
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 651106) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID651106
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2ccccc2N)sc1C
InChIInChI=1S/C13H15N3OS2/c1-8-9(2)19-13(15-8)16-12(17)7-18-11-6-4-3-5-10(11)14/h3-6H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyAOQKEHLFFMTMEW-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 651106) is 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CSc2ccccc2N)sc1C.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is AOQKEHLFFMTMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-8-9(2)19-13(15-8)16-12(17)7-18-11-6-4-3-5-10(11)14/h3-6H,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 293.42 g/mol, XLogP of 3.07, 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-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 651106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).