2-methyl-5-thiomorpholin-3-yl-1,3-oxazole

C8H12N2OS — CID 105441296

IUPAC2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
SMILESCc1ncc(C2CSCCN2)o1
InChIInChI=1S/C8H12N2OS/c1-6-10-4-8(11-6)7-5-12-3-2-9-7/h4,7,9H,2-3,5H2,1H3
InChIKeyGYXDOGZPYRQGCI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.36
Rot. Bonds1

About 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole

2-methyl-5-thiomorpholin-3-yl-1,3-oxazole (PubChem CID 105441296) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
PubChem CID105441296
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
SMILESCc1ncc(C2CSCCN2)o1
InChIInChI=1S/C8H12N2OS/c1-6-10-4-8(11-6)7-5-12-3-2-9-7/h4,7,9H,2-3,5H2,1H3
InChIKeyGYXDOGZPYRQGCI-UHFFFAOYSA-N
XLogP1.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole 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-thiomorpholin-3-yl-1,3-oxazole?
The IUPAC name of 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole (CID 105441296) is 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole?
The canonical SMILES for 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole is Cc1ncc(C2CSCCN2)o1.
What is the InChIKey of 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole?
The InChIKey is GYXDOGZPYRQGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-10-4-8(11-6)7-5-12-3-2-9-7/h4,7,9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole?
2-methyl-5-thiomorpholin-3-yl-1,3-oxazole has a molecular weight of 184.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiomorpholin-3-yl-1,3-oxazole is sourced from PubChem (CID 105441296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).