3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one

C14H17N3O2S — CID 1369861

IUPAC3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN2CCOCC2)N1Cc1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-13-11-20-14(15-16-6-8-19-9-7-16)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyNZHZJWJTTSZAHN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.37
Rot. Bonds3

About 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one

3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one (PubChem CID 1369861) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one
PubChem CID1369861
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN2CCOCC2)N1Cc1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-13-11-20-14(15-16-6-8-19-9-7-16)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyNZHZJWJTTSZAHN-UHFFFAOYSA-N
XLogP1.37
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one (CID 1369861) is 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one is O=C1CSC(=NN2CCOCC2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one?
The InChIKey is NZHZJWJTTSZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13-11-20-14(15-16-6-8-19-9-7-16)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one?
3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one has a molecular weight of 291.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1369861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).