2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline

C10H10N2OS — CID 106921306

IUPAC2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCc1ccc(Sc2ncco2)cc1N
InChIInChI=1S/C10H10N2OS/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-6H,11H2,1H3
InChIKeyOLAMXKUHGGUMBN-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.72
Rot. Bonds2

About 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline

2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921306) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921306
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCc1ccc(Sc2ncco2)cc1N
InChIInChI=1S/C10H10N2OS/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-6H,11H2,1H3
InChIKeyOLAMXKUHGGUMBN-UHFFFAOYSA-N
XLogP2.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline 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-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921306) is 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline is Cc1ccc(Sc2ncco2)cc1N.
What is the InChIKey of 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is OLAMXKUHGGUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-6H,11H2,1H3.
What are the key properties of 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline?
2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 206.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).