3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

C12H21N3O3S — CID 43393338

IUPAC3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H21N3O3S/c16-9-7-13-3-5-14(6-4-13)11(17)1-2-15-8-10-19-12(15)18/h16H,1-10H2
InChIKeyDVSREFQKLGFRIP-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.32
Rot. Bonds5

About 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (PubChem CID 43393338) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
PubChem CID43393338
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H21N3O3S/c16-9-7-13-3-5-14(6-4-13)11(17)1-2-15-8-10-19-12(15)18/h16H,1-10H2
InChIKeyDVSREFQKLGFRIP-UHFFFAOYSA-N
XLogP-0.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (CID 43393338) is 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is O=C(CCN1CCSC1=O)N1CCN(CCO)CC1.
What is the InChIKey of 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The InChIKey is DVSREFQKLGFRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c16-9-7-13-3-5-14(6-4-13)11(17)1-2-15-8-10-19-12(15)18/h16H,1-10H2.
What are the key properties of 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one has a molecular weight of 287.38 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 43393338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).