3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione

C15H16N4O2S — CID 21002721

IUPAC3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc2ncnc(NCCN3C(=O)CSC3=O)c2c1
InChIInChI=1S/C15H16N4O2S/c1-2-10-3-4-12-11(7-10)14(18-9-17-12)16-5-6-19-13(20)8-22-15(19)21/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeySBOGCZCOIUEKHQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.30
Rot. Bonds5

About 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione

3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 21002721) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID21002721
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc2ncnc(NCCN3C(=O)CSC3=O)c2c1
InChIInChI=1S/C15H16N4O2S/c1-2-10-3-4-12-11(7-10)14(18-9-17-12)16-5-6-19-13(20)8-22-15(19)21/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeySBOGCZCOIUEKHQ-UHFFFAOYSA-N
XLogP2.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione (CID 21002721) is 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione is CCc1ccc2ncnc(NCCN3C(=O)CSC3=O)c2c1.
What is the InChIKey of 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is SBOGCZCOIUEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-10-3-4-12-11(7-10)14(18-9-17-12)16-5-6-19-13(20)8-22-15(19)21/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 316.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21002721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).