3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione

C12H14N2O3S — CID 43365706

IUPAC3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(OCCCN2C(=O)CSC2=O)c1
InChIInChI=1S/C12H14N2O3S/c13-9-3-1-4-10(7-9)17-6-2-5-14-11(15)8-18-12(14)16/h1,3-4,7H,2,5-6,8,13H2
InChIKeyBFSWGVZUHXPYAH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.73
Rot. Bonds5

About 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione

3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione (PubChem CID 43365706) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione
PubChem CID43365706
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(OCCCN2C(=O)CSC2=O)c1
InChIInChI=1S/C12H14N2O3S/c13-9-3-1-4-10(7-9)17-6-2-5-14-11(15)8-18-12(14)16/h1,3-4,7H,2,5-6,8,13H2
InChIKeyBFSWGVZUHXPYAH-UHFFFAOYSA-N
XLogP1.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one
CID 84758464
3-[3-(3-aminophenoxy)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755460
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one
CID 43365793
3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 3240837
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
3-[3-(3-aminophenoxy)propyl]-1,3-benzoxazol-2-one
CID 43365775
1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
CID 82151863
1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147667
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]aniline
CID 43619907

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione (CID 43365706) is 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione is Nc1cccc(OCCCN2C(=O)CSC2=O)c1.
What is the InChIKey of 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BFSWGVZUHXPYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-9-3-1-4-10(7-9)17-6-2-5-14-11(15)8-18-12(14)16/h1,3-4,7H,2,5-6,8,13H2.
What are the key properties of 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione?
3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 266.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43365706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).