3-benzyl-1,3-thiazolidin-2-imine

C10H12N2S — CID 15163853

IUPAC3-benzyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1Cc1ccccc1
InChIInChI=1S/C10H12N2S/c11-10-12(6-7-13-10)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2/b11-10-
InChIKeyPFJYWEKDUVKYSO-KHPPLWFESA-N
MW192.29 g/mol
LogP2.17
Rot. Bonds2

About 3-benzyl-1,3-thiazolidin-2-imine

3-benzyl-1,3-thiazolidin-2-imine (PubChem CID 15163853) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-benzyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-benzyl-1,3-thiazolidin-2-imine
PubChem CID15163853
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-benzyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1Cc1ccccc1
InChIInChI=1S/C10H12N2S/c11-10-12(6-7-13-10)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2/b11-10-
InChIKeyPFJYWEKDUVKYSO-KHPPLWFESA-N
XLogP2.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909376
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid
CID 131888052
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol thiocyanate
CID 86735207
3-benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 14306192
3-benzyl-2H-1,3-benzothiazole;hydrobromide
CID 173117012
3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine
CID 170909236
3-benzyl-2H-1,3-benzothiazole
CID 5080554
N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
CID 156827909
12-benzyl-6,11-dihydrobenzo[c][1,6]benzothiazocine
CID 165352100
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine
CID 127039854

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-benzyl-1,3-thiazolidin-2-imine (CID 15163853) is 3-benzyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-benzyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-benzyl-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,3-thiazolidin-2-imine?
The InChIKey is PFJYWEKDUVKYSO-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2S/c11-10-12(6-7-13-10)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2/b11-10-.
What are the key properties of 3-benzyl-1,3-thiazolidin-2-imine?
3-benzyl-1,3-thiazolidin-2-imine has a molecular weight of 192.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15163853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).