2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

C13H16N2OS — CID 135414361

IUPAC2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)C(C(C)C)S1
InChIInChI=1S/C13H16N2OS/c1-8(2)11-12(16)15-13(17-11)14-10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15,16)
InChIKeyWTDVJQRSTXJXKV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.87
Rot. Bonds2

About 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135414361) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135414361
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)C(C(C)C)S1
InChIInChI=1S/C13H16N2OS/c1-8(2)11-12(16)15-13(17-11)14-10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15,16)
InChIKeyWTDVJQRSTXJXKV-UHFFFAOYSA-N
XLogP2.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.87
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-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
2-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-((2,4-Dimethylphenyl)amino)-4,5-dihydro-1,3-thiazol-4-one
CID 135415560
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
2-(3,5-Dimethyl-phenylimino)-thiazolidin-4-one
CID 135459529
2-(3,4-Dimethylanilino)-1,3-thiazol-4-one
CID 135468636
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135414361) is 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1/NC(=O)C(C(C)C)S1.
What is the InChIKey of 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is WTDVJQRSTXJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8(2)11-12(16)15-13(17-11)14-10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15,16).
What are the key properties of 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 248.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).