5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole

C11H14N2O3S3 — CID 71870480

IUPAC5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSCc2csc(CS(C)(=O)=O)n2)no1
InChIInChI=1S/C11H14N2O3S3/c1-8-3-9(13-16-8)4-17-5-10-6-18-11(12-10)7-19(2,14)15/h3,6H,4-5,7H2,1-2H3
InChIKeyOYLMVDIFEHUQAJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.42
Rot. Bonds6

About 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole

5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole (PubChem CID 71870480) has the molecular formula C11H14N2O3S3 and a molecular weight of 318.45 g/mol. Its IUPAC name is 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
PubChem CID71870480
Molecular FormulaC11H14N2O3S3
Molecular Weight318.45 g/mol
Exact Mass318.02
IUPAC Name5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSCc2csc(CS(C)(=O)=O)n2)no1
InChIInChI=1S/C11H14N2O3S3/c1-8-3-9(13-16-8)4-17-5-10-6-18-11(12-10)7-19(2,14)15/h3,6H,4-5,7H2,1-2H3
InChIKeyOYLMVDIFEHUQAJ-UHFFFAOYSA-N
XLogP2.42
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-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 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole (CID 71870480) is 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole is Cc1cc(CSCc2csc(CS(C)(=O)=O)n2)no1.
What is the InChIKey of 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
The InChIKey is OYLMVDIFEHUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S3/c1-8-3-9(13-16-8)4-17-5-10-6-18-11(12-10)7-19(2,14)15/h3,6H,4-5,7H2,1-2H3.
What are the key properties of 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole has a molecular weight of 318.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 71870480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).