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

C13H16N2O2S — CID 137292283

IUPAC2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(C(C)C)S2)cc1
InChIInChI=1S/C13H16N2O2S/c1-8(2)11-12(16)15-13(18-11)14-9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3,(H,14,15,16)
InChIKeyMHZGGSFXYRKVEP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.57
Rot. Bonds3

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

2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 137292283) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID137292283
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(C(C)C)S2)cc1
InChIInChI=1S/C13H16N2O2S/c1-8(2)11-12(16)15-13(18-11)14-9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3,(H,14,15,16)
InChIKeyMHZGGSFXYRKVEP-UHFFFAOYSA-N
XLogP2.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455198
(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135566336
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135691883
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 137083057
4-[[2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 135417461
4-[[(5S)-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135816491
2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173496185

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 137292283) is 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)C(C(C)C)S2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is MHZGGSFXYRKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(2)11-12(16)15-13(18-11)14-9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3,(H,14,15,16).
What are the key properties of 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).