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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Related Compounds

3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310569
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
CID 62850152
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471583
3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 62246150
1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one
CID 62465256
1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
CID 64693745
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 62466498
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1228097
3-[[2-(ethylamino)-4-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342277
1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62464134

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).