3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine

C13H19NOS — CID 129289858

IUPAC3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine
SMILESCOc1ccc(N2CCSC2)c(C(C)C)c1
InChIInChI=1S/C13H19NOS/c1-10(2)12-8-11(15-3)4-5-13(12)14-6-7-16-9-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyRTUZRDHCLIFISG-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.33
Rot. Bonds3

About 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine

3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine (PubChem CID 129289858) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine
PubChem CID129289858
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine
SMILESCOc1ccc(N2CCSC2)c(C(C)C)c1
InChIInChI=1S/C13H19NOS/c1-10(2)12-8-11(15-3)4-5-13(12)14-6-7-16-9-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyRTUZRDHCLIFISG-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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4-methoxy-2-propan-2-ylbenzenethiol
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bis(4-methoxy-2-propan-2-ylphenyl)iodanium
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methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
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bis(4-methoxy-2-propan-2-ylphenyl)methanone
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CID 22712642
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
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CID 113076150

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine (CID 129289858) is 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine is COc1ccc(N2CCSC2)c(C(C)C)c1.
What is the InChIKey of 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine?
The InChIKey is RTUZRDHCLIFISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(2)12-8-11(15-3)4-5-13(12)14-6-7-16-9-14/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine?
3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine has a molecular weight of 237.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 129289858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).