1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone

C13H17NO3S2 — CID 10380016

IUPAC1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone
SMILESCOc1ccccc1OCC1SCCN1C(=O)CS
InChIInChI=1S/C13H17NO3S2/c1-16-10-4-2-3-5-11(10)17-8-13-14(6-7-19-13)12(15)9-18/h2-5,13,18H,6-9H2,1H3
InChIKeyXPYPCDPTARPWLH-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone

1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone (PubChem CID 10380016) has the molecular formula C13H17NO3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone
PubChem CID10380016
Molecular FormulaC13H17NO3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone
SMILESCOc1ccccc1OCC1SCCN1C(=O)CS
InChIInChI=1S/C13H17NO3S2/c1-16-10-4-2-3-5-11(10)17-8-13-14(6-7-19-13)12(15)9-18/h2-5,13,18H,6-9H2,1H3
InChIKeyXPYPCDPTARPWLH-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone?
The IUPAC name of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone (CID 10380016) is 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone.
What is the SMILES notation for 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone?
The canonical SMILES for 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone is COc1ccccc1OCC1SCCN1C(=O)CS.
What is the InChIKey of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone?
The InChIKey is XPYPCDPTARPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S2/c1-16-10-4-2-3-5-11(10)17-8-13-14(6-7-19-13)12(15)9-18/h2-5,13,18H,6-9H2,1H3.
What are the key properties of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone?
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone has a molecular weight of 299.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone is sourced from PubChem (CID 10380016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).