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

C14H19NO4S2 — CID 3074777

IUPAC1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
SMILESCOc1ccccc1OCC1SCCN1C(=O)CS(C)=O
InChIInChI=1S/C14H19NO4S2/c1-18-11-5-3-4-6-12(11)19-9-14-15(7-8-20-14)13(16)10-21(2)17/h3-6,14H,7-10H2,1-2H3
InChIKeyNZGIQBUNBPRDHK-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.35
Rot. Bonds6

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

1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone (PubChem CID 3074777) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
PubChem CID3074777
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
SMILESCOc1ccccc1OCC1SCCN1C(=O)CS(C)=O
InChIInChI=1S/C14H19NO4S2/c1-18-11-5-3-4-6-12(11)19-9-14-15(7-8-20-14)13(16)10-21(2)17/h3-6,14H,7-10H2,1-2H3
InChIKeyNZGIQBUNBPRDHK-UHFFFAOYSA-N
XLogP1.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
The IUPAC name of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone (CID 3074777) is 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone.
What is the SMILES notation for 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
The canonical SMILES for 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone is COc1ccccc1OCC1SCCN1C(=O)CS(C)=O.
What is the InChIKey of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
The InChIKey is NZGIQBUNBPRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-18-11-5-3-4-6-12(11)19-9-14-15(7-8-20-14)13(16)10-21(2)17/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone has a molecular weight of 329.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 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-methylsulfinylethanone is sourced from PubChem (CID 3074777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).