3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C17H16N2OS — CID 7514664

IUPAC3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-13-7-5-6-10-15(13)18-17-19(16(20)12-21-17)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/b18-17-
InChIKeyLOULRBFJFCCLAD-ZCXUNETKSA-N
MW296.40 g/mol
LogP3.76
Rot. Bonds3

About 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 7514664) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID7514664
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-13-7-5-6-10-15(13)18-17-19(16(20)12-21-17)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/b18-17-
InChIKeyLOULRBFJFCCLAD-ZCXUNETKSA-N
XLogP3.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-o-Tolylamino-thiazol-4-one
CID 135415405
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
3-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10664387
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(5Z)-3-allyl-2-allylimino-5-[4-(dimethylamino)benzylidene]thiazolidin-4-one
CID 1978270
Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
(Z)-2-(4-(dimethylamino)benzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 2042689

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 7514664) is 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1\SCC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LOULRBFJFCCLAD-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-13-7-5-6-10-15(13)18-17-19(16(20)12-21-17)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/b18-17-.
What are the key properties of 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 296.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 7514664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).