4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine

C13H19NOS — CID 66229353

IUPAC4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine
SMILESCCC1CSC(c2ccc(COC)cc2)N1
InChIInChI=1S/C13H19NOS/c1-3-12-9-16-13(14-12)11-6-4-10(5-7-11)8-15-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyXNDPYKLFSJUQRN-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.95
Rot. Bonds4

About 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine

4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine (PubChem CID 66229353) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine.

Molecular Properties

Compound Name4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine
PubChem CID66229353
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine
SMILESCCC1CSC(c2ccc(COC)cc2)N1
InChIInChI=1S/C13H19NOS/c1-3-12-9-16-13(14-12)11-6-4-10(5-7-11)8-15-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyXNDPYKLFSJUQRN-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine?
The IUPAC name of 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine (CID 66229353) is 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine.
What is the SMILES notation for 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine?
The canonical SMILES for 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine is CCC1CSC(c2ccc(COC)cc2)N1.
What is the InChIKey of 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine?
The InChIKey is XNDPYKLFSJUQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-12-9-16-13(14-12)11-6-4-10(5-7-11)8-15-2/h4-7,12-14H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine?
4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine has a molecular weight of 237.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(methoxymethyl)phenyl]-1,3-thiazolidine is sourced from PubChem (CID 66229353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).