2-(4-methylphenyl)-1,3-thiazolidine

C10H13NS — CID 2771069

IUPAC2-(4-methylphenyl)-1,3-thiazolidine
SMILESCc1ccc(C2NCCS2)cc1
InChIInChI=1S/C10H13NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3
InChIKeyNLKGQUAQKCOAHV-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.33
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-thiazolidine

2-(4-methylphenyl)-1,3-thiazolidine (PubChem CID 2771069) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-thiazolidine
PubChem CID2771069
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-(4-methylphenyl)-1,3-thiazolidine
SMILESCc1ccc(C2NCCS2)cc1
InChIInChI=1S/C10H13NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3
InChIKeyNLKGQUAQKCOAHV-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-(4-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 2-(4-methylphenyl)-1,3-thiazolidine (CID 2771069) is 2-(4-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(4-methylphenyl)-1,3-thiazolidine is Cc1ccc(C2NCCS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-thiazolidine?
The InChIKey is NLKGQUAQKCOAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-thiazolidine?
2-(4-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-(4-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 2771069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).