4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine

C11H15N3S — CID 135934660

IUPAC4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/Cc2cccnc2)N1
InChIInChI=1S/C11H15N3S/c1-2-10-8-15-11(14-10)13-7-9-4-3-5-12-6-9/h3-6,10H,2,7-8H2,1H3,(H,13,14)
InChIKeyMLFJEZOHNUOAKZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.05
Rot. Bonds3

About 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine

4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 135934660) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID135934660
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/Cc2cccnc2)N1
InChIInChI=1S/C11H15N3S/c1-2-10-8-15-11(14-10)13-7-9-4-3-5-12-6-9/h3-6,10H,2,7-8H2,1H3,(H,13,14)
InChIKeyMLFJEZOHNUOAKZ-UHFFFAOYSA-N
XLogP2.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 135934658
N-(pyridin-3-ylmethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746919
4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
CID 136981181
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine
CID 136811603
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine
CID 136908710
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
CID 131052532
N-[(4-methyl-3-pyridinyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747365
3-ethylpyridine
CID 10823
1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
CID 104736697
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine (CID 135934660) is 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N/Cc2cccnc2)N1.
What is the InChIKey of 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is MLFJEZOHNUOAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-10-8-15-11(14-10)13-7-9-4-3-5-12-6-9/h3-6,10H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 221.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).