5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione

C8H14N2O3S — CID 118244865

IUPAC5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione
SMILESCOCCCN(C)C1SC(=O)NC1=O
InChIInChI=1S/C8H14N2O3S/c1-10(4-3-5-13-2)7-6(11)9-8(12)14-7/h7H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyDGTOBQJPOXVSBL-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.26
Rot. Bonds5

About 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione

5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione (PubChem CID 118244865) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione
PubChem CID118244865
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione
SMILESCOCCCN(C)C1SC(=O)NC1=O
InChIInChI=1S/C8H14N2O3S/c1-10(4-3-5-13-2)7-6(11)9-8(12)14-7/h7H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyDGTOBQJPOXVSBL-UHFFFAOYSA-N
XLogP0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione (CID 118244865) is 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione is COCCCN(C)C1SC(=O)NC1=O.
What is the InChIKey of 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione?
The InChIKey is DGTOBQJPOXVSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-10(4-3-5-13-2)7-6(11)9-8(12)14-7/h7H,3-5H2,1-2H3,(H,9,11,12).
What are the key properties of 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione?
5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione has a molecular weight of 218.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118244865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).