3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione

C8H14N2O2S — CID 60690987

IUPAC3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)NCCN1C(=O)CSC1=O
InChIInChI=1S/C8H14N2O2S/c1-6(2)9-3-4-10-7(11)5-13-8(10)12/h6,9H,3-5H2,1-2H3
InChIKeyDJHLZWLJPSMUSV-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.68
Rot. Bonds4

About 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione

3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 60690987) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID60690987
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)NCCN1C(=O)CSC1=O
InChIInChI=1S/C8H14N2O2S/c1-6(2)9-3-4-10-7(11)5-13-8(10)12/h6,9H,3-5H2,1-2H3
InChIKeyDJHLZWLJPSMUSV-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione (CID 60690987) is 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione is CC(C)NCCN1C(=O)CSC1=O.
What is the InChIKey of 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DJHLZWLJPSMUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(2)9-3-4-10-7(11)5-13-8(10)12/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 60690987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).