2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C19H18N2O3S — CID 40555085

IUPAC2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1ccc(/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-12-3-7-14(8-4-12)20-19-21(15-9-5-13(2)6-10-15)18(24)16(25-19)11-17(22)23/h3-10,16H,11H2,1-2H3,(H,22,23)/b20-19-/t16-/m1/s1
InChIKeyHMTMTHUUFQSRFI-DVSFIDLUSA-N
MW354.43 g/mol
LogP3.91
Rot. Bonds4

About 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 40555085) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID40555085
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1ccc(/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-12-3-7-14(8-4-12)20-19-21(15-9-5-13(2)6-10-15)18(24)16(25-19)11-17(22)23/h3-10,16H,11H2,1-2H3,(H,22,23)/b20-19-/t16-/m1/s1
InChIKeyHMTMTHUUFQSRFI-DVSFIDLUSA-N
XLogP3.91
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.91
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-[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 4546410
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539
2-[3-(4-chlorophenyl)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 4860956
5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 16633868
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 7176491
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135813235
(5S)-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 41180381
3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 16633822
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4545472
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 28914602
2-[(5R)-2-cyclohexylimino-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6977368

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 40555085) is 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is Cc1ccc(/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is HMTMTHUUFQSRFI-DVSFIDLUSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-3-7-14(8-4-12)20-19-21(15-9-5-13(2)6-10-15)18(24)16(25-19)11-17(22)23/h3-10,16H,11H2,1-2H3,(H,22,23)/b20-19-/t16-/m1/s1.
What are the key properties of 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 354.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 40555085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).