4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine

C10H15N3OS — CID 136811603

IUPAC4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\Cc2ncc(C)o2)N1
InChIInChI=1S/C10H15N3OS/c1-3-8-6-15-10(13-8)12-5-9-11-4-7(2)14-9/h4,8H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyZKRHNZIMILEMGW-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.95
Rot. Bonds3

About 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine

4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 136811603) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID136811603
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\Cc2ncc(C)o2)N1
InChIInChI=1S/C10H15N3OS/c1-3-8-6-15-10(13-8)12-5-9-11-4-7(2)14-9/h4,8H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyZKRHNZIMILEMGW-UHFFFAOYSA-N
XLogP1.95
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 135934660
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
CID 137004296
N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
CID 135934622
4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
CID 136824831
4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136993610
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
CID 119055129
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
CID 137001860
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine
CID 136908710

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine (CID 136811603) is 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N\Cc2ncc(C)o2)N1.
What is the InChIKey of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is ZKRHNZIMILEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-3-8-6-15-10(13-8)12-5-9-11-4-7(2)14-9/h4,8H,3,5-6H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 225.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136811603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).