2-(3-methylphenyl)-1,3-thiazolidine

C10H13NS — CID 3058932

IUPAC2-(3-methylphenyl)-1,3-thiazolidine
SMILESCc1cccc(C2NCCS2)c1
InChIInChI=1S/C10H13NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7,10-11H,5-6H2,1H3
InChIKeyXGRWDOHURTVHMY-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.33
Rot. Bonds1

About 2-(3-methylphenyl)-1,3-thiazolidine

2-(3-methylphenyl)-1,3-thiazolidine (PubChem CID 3058932) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,3-thiazolidine
PubChem CID3058932
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-(3-methylphenyl)-1,3-thiazolidine
SMILESCc1cccc(C2NCCS2)c1
InChIInChI=1S/C10H13NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7,10-11H,5-6H2,1H3
InChIKeyXGRWDOHURTVHMY-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 2-(3-methylphenyl)-1,3-thiazolidine (CID 3058932) is 2-(3-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(3-methylphenyl)-1,3-thiazolidine is Cc1cccc(C2NCCS2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,3-thiazolidine?
The InChIKey is XGRWDOHURTVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7,10-11H,5-6H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1,3-thiazolidine?
2-(3-methylphenyl)-1,3-thiazolidine has a molecular weight of 179.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3058932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).