1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine

C11H12N4OS — CID 146674376

IUPAC1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine
SMILES[H]/N=C(\N)N=C1NC(=O)C(Cc2ccccc2)S1
InChIInChI=1S/C11H12N4OS/c12-10(13)15-11-14-9(16)8(17-11)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,12,13,14,15,16)
InChIKeyMVSGCLHOYSDVDM-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.71
Rot. Bonds2

About 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine

1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine (PubChem CID 146674376) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine.

Molecular Properties

Compound Name1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine
PubChem CID146674376
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine
SMILES[H]/N=C(\N)N=C1NC(=O)C(Cc2ccccc2)S1
InChIInChI=1S/C11H12N4OS/c12-10(13)15-11-14-9(16)8(17-11)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,12,13,14,15,16)
InChIKeyMVSGCLHOYSDVDM-UHFFFAOYSA-N
XLogP0.71
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 138376648
2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 154777202
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
(2E,5R)-5-benzyl-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851356
5-benzyl-2-[(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135510882
5-benzyl-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184948
(2E,5S)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780056
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620
N-(1,3-benzodioxol-5-yl)-2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 154777200
[4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]carbamic acid
CID 174560495
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135453536

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine?
The IUPAC name of 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine (CID 146674376) is 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine.
What is the SMILES notation for 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine?
The canonical SMILES for 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine is [H]/N=C(\N)N=C1NC(=O)C(Cc2ccccc2)S1.
What is the InChIKey of 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine?
The InChIKey is MVSGCLHOYSDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-10(13)15-11-14-9(16)8(17-11)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,12,13,14,15,16).
What are the key properties of 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine?
1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine has a molecular weight of 248.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine is sourced from PubChem (CID 146674376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).