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

C12H19N3OS — CID 136993610

IUPAC4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCc1cnc(C/N=C2/NC(C)(CC)CS2)o1
InChIInChI=1S/C12H19N3OS/c1-4-9-6-13-10(16-9)7-14-11-15-12(3,5-2)8-17-11/h6H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyAQXVSTZBDAFCPN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.60
Rot. Bonds4

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

4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 136993610) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID136993610
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCc1cnc(C/N=C2/NC(C)(CC)CS2)o1
InChIInChI=1S/C12H19N3OS/c1-4-9-6-13-10(16-9)7-14-11-15-12(3,5-2)8-17-11/h6H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyAQXVSTZBDAFCPN-UHFFFAOYSA-N
XLogP2.60
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine (CID 136993610) is 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine is CCc1cnc(C/N=C2/NC(C)(CC)CS2)o1.
What is the InChIKey of 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is AQXVSTZBDAFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-9-6-13-10(16-9)7-14-11-15-12(3,5-2)8-17-11/h6H,4-5,7-8H2,1-3H3,(H,14,15).
What are the key properties of 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 253.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136993610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).