2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine

C11H15NO2S — CID 139643561

IUPAC2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine
SMILES[2H]C1(COc2ccccc2OC)NCCS1
InChIInChI=1S/C11H15NO2S/c1-13-9-4-2-3-5-10(9)14-8-11-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3/i11D
InChIKeyRVDKSQDMEIWCNB-WORMITQPSA-N
MW226.32 g/mol
LogP1.74
Rot. Bonds4

About 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine

2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine (PubChem CID 139643561) has the molecular formula C11H15NO2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine
PubChem CID139643561
Molecular FormulaC11H15NO2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine
SMILES[2H]C1(COc2ccccc2OC)NCCS1
InChIInChI=1S/C11H15NO2S/c1-13-9-4-2-3-5-10(9)14-8-11-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3/i11D
InChIKeyRVDKSQDMEIWCNB-WORMITQPSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
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2-(bromomethyl)-5-[(2-methoxyphenoxy)methyl]-1,3-oxathiolane
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1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]butane-1,2-dione
CID 67937248
2-[(2-methoxyphenoxy)methyl]-1,3-dioxole
CID 141236691
CID 66849130
CID 66849130
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone
CID 10380016
2-(2-methoxyphenyl)-1,3-thiazinane
CID 66219247
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine?
The IUPAC name of 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine (CID 139643561) is 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine.
What is the SMILES notation for 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine?
The canonical SMILES for 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine is [2H]C1(COc2ccccc2OC)NCCS1.
What is the InChIKey of 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine?
The InChIKey is RVDKSQDMEIWCNB-WORMITQPSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-13-9-4-2-3-5-10(9)14-8-11-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3/i11D.
What are the key properties of 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine?
2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine has a molecular weight of 226.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine is sourced from PubChem (CID 139643561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).