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

C11H15NOS — CID 3050890

IUPAC2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine
SMILESCOc1cc(C2NCCS2)ccc1C
InChIInChI=1S/C11H15NOS/c1-8-3-4-9(7-10(8)13-2)11-12-5-6-14-11/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyZCVHKJHWAKWHJR-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.34
Rot. Bonds2

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

2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine (PubChem CID 3050890) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine
PubChem CID3050890
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine
SMILESCOc1cc(C2NCCS2)ccc1C
InChIInChI=1S/C11H15NOS/c1-8-3-4-9(7-10(8)13-2)11-12-5-6-14-11/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyZCVHKJHWAKWHJR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine (CID 3050890) is 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine is COc1cc(C2NCCS2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine?
The InChIKey is ZCVHKJHWAKWHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-3-4-9(7-10(8)13-2)11-12-5-6-14-11/h3-4,7,11-12H,5-6H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine?
2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine has a molecular weight of 209.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3050890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).