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

C10H13NS — CID 3913789

IUPAC3-(4-methylphenyl)-1,3-thiazolidine
SMILESCc1ccc(N2CCSC2)cc1
InChIInChI=1S/C10H13NS/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-5H,6-8H2,1H3
InChIKeyGKLMEDZPVZYADR-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.51
Rot. Bonds1

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

3-(4-methylphenyl)-1,3-thiazolidine (PubChem CID 3913789) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,3-thiazolidine
PubChem CID3913789
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3-(4-methylphenyl)-1,3-thiazolidine
SMILESCc1ccc(N2CCSC2)cc1
InChIInChI=1S/C10H13NS/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-5H,6-8H2,1H3
InChIKeyGKLMEDZPVZYADR-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-methylphenyl)-1,3-thiazolidine (CID 3913789) is 3-(4-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-methylphenyl)-1,3-thiazolidine is Cc1ccc(N2CCSC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,3-thiazolidine?
The InChIKey is GKLMEDZPVZYADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-5H,6-8H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1,3-thiazolidine?
3-(4-methylphenyl)-1,3-thiazolidine has a molecular weight of 179.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3913789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).