2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide

C11H11N3OS — CID 13430328

IUPAC2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide
SMILESCc1nc(N)oc1C(=S)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-7-9(15-11(12)13-7)10(16)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,16)
InChIKeyOKGPONZCTNPUQG-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.35
Rot. Bonds2

About 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide

2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide (PubChem CID 13430328) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide
PubChem CID13430328
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide
SMILESCc1nc(N)oc1C(=S)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-7-9(15-11(12)13-7)10(16)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,16)
InChIKeyOKGPONZCTNPUQG-UHFFFAOYSA-N
XLogP2.35
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide 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-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide?
The IUPAC name of 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide (CID 13430328) is 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide.
What is the SMILES notation for 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide?
The canonical SMILES for 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide is Cc1nc(N)oc1C(=S)Nc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide?
The InChIKey is OKGPONZCTNPUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-9(15-11(12)13-7)10(16)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide?
2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide has a molecular weight of 233.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide is sourced from PubChem (CID 13430328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).