3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione

C11H13N3O2S — CID 62466141

IUPAC3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCNc1cc(CN2C(=O)CSC2=O)ccn1
InChIInChI=1S/C11H13N3O2S/c1-2-12-9-5-8(3-4-13-9)6-14-10(15)7-17-11(14)16/h3-5H,2,6-7H2,1H3,(H,12,13)
InChIKeyNNVGKBPAMCNVQR-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.71
Rot. Bonds4

About 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione

3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 62466141) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID62466141
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCNc1cc(CN2C(=O)CSC2=O)ccn1
InChIInChI=1S/C11H13N3O2S/c1-2-12-9-5-8(3-4-13-9)6-14-10(15)7-17-11(14)16/h3-5H,2,6-7H2,1H3,(H,12,13)
InChIKeyNNVGKBPAMCNVQR-UHFFFAOYSA-N
XLogP1.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.71
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-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (CID 62466141) is 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is CCNc1cc(CN2C(=O)CSC2=O)ccn1.
What is the InChIKey of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NNVGKBPAMCNVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-12-9-5-8(3-4-13-9)6-14-10(15)7-17-11(14)16/h3-5H,2,6-7H2,1H3,(H,12,13).
What are the key properties of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 62466141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).