2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one

C10H10N2OS — CID 171383873

IUPAC2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(c2ccccc2)C(=O)N1C
InChIInChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3/b11-10-
InChIKeyQCCWMBPVBBDISJ-KHPPLWFESA-N
MW206.27 g/mol
LogP1.87
Rot. Bonds1

About 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one

2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 171383873) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one
PubChem CID171383873
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(c2ccccc2)C(=O)N1C
InChIInChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3/b11-10-
InChIKeyQCCWMBPVBBDISJ-KHPPLWFESA-N
XLogP1.87
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
CID 137346493
CID 137346493
2-(2-Iminothiazolidin-3-yl)-1-phenylethan-1-one
CID 81157
4-Thiazolidinone, 2-imino-5-phenyl-
CID 220172
5-Benzyl-2-imino-1,3-thiazolan-4-one
CID 137629431
5-Benzyl-1,3-thiazolidine-2,4-dione 2-[(1-methylethylidene)hydrazone]
CID 135817227
5,6-Dihydro-5-ethyl-2-imino-6-phenyl-2H-1,3-thiazine-4(3H)-one
CID 137321833
(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509610
2-Amino-5-[(4-methylphenyl)methyl]-1,3-thiazol-4-one
CID 137319891
CID 137319890
CID 137319890
5-(3-Fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 138978178

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one (CID 171383873) is 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one is [H]/N=C1\SC(c2ccccc2)C(=O)N1C.
What is the InChIKey of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is QCCWMBPVBBDISJ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3/b11-10-.
What are the key properties of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 171383873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).