2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine

C12H17NOS — CID 66241618

IUPAC2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine
SMILESCOc1ccc(C2NCC(C)S2)cc1C
InChIInChI=1S/C12H17NOS/c1-8-6-10(4-5-11(8)14-3)12-13-7-9(2)15-12/h4-6,9,12-13H,7H2,1-3H3
InChIKeyIISXVANDFGPMGN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.73
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine

2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine (PubChem CID 66241618) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine
PubChem CID66241618
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine
SMILESCOc1ccc(C2NCC(C)S2)cc1C
InChIInChI=1S/C12H17NOS/c1-8-6-10(4-5-11(8)14-3)12-13-7-9(2)15-12/h4-6,9,12-13H,7H2,1-3H3
InChIKeyIISXVANDFGPMGN-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine (CID 66241618) is 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine is COc1ccc(C2NCC(C)S2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine?
The InChIKey is IISXVANDFGPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-6-10(4-5-11(8)14-3)12-13-7-9(2)15-12/h4-6,9,12-13H,7H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine?
2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine has a molecular weight of 223.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 66241618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).