3-benzyl-2-imino-1,3-thiazolidin-4-one

C10H10N2OS — CID 1374508

IUPAC3-benzyl-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C10H10N2OS/c11-10-12(9(13)7-14-10)6-8-4-2-1-3-5-8/h1-5,11H,6-7H2/b11-10-
InChIKeyFSRRLWAYZNCQQH-KHPPLWFESA-N
MW206.27 g/mol
LogP1.70
Rot. Bonds2

About 3-benzyl-2-imino-1,3-thiazolidin-4-one

3-benzyl-2-imino-1,3-thiazolidin-4-one (PubChem CID 1374508) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-benzyl-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-imino-1,3-thiazolidin-4-one
PubChem CID1374508
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-benzyl-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C10H10N2OS/c11-10-12(9(13)7-14-10)6-8-4-2-1-3-5-8/h1-5,11H,6-7H2/b11-10-
InChIKeyFSRRLWAYZNCQQH-KHPPLWFESA-N
XLogP1.70
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.70
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

2-imino-3-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
CID 139914947
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
CID 141064791
3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine
CID 170909236
3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one
CID 1369861
3-benzyl-1,3-thiazolidin-2-imine
CID 15163853
(5E)-3-benzyl-2-imino-5-(4-methyl-1,4-benzothiazin-3-ylidene)-1,3-thiazolidin-4-one
CID 142264437
5-benzyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909376
3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125222
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 118713906
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-imino-1,3-thiazolidin-4-one (CID 1374508) is 3-benzyl-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-imino-1,3-thiazolidin-4-one?
The InChIKey is FSRRLWAYZNCQQH-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10-12(9(13)7-14-10)6-8-4-2-1-3-5-8/h1-5,11H,6-7H2/b11-10-.
What are the key properties of 3-benzyl-2-imino-1,3-thiazolidin-4-one?
3-benzyl-2-imino-1,3-thiazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1374508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).