2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid

C19H18N2O4S — CID 7045484

IUPAC2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid
SMILESCc1ccc(N2C(=O)S[C@H](N(CC(=O)O)c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-12-6-8-14(9-7-12)21-17(24)18(26-19(21)25)20(11-16(22)23)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyCDJBCYOJDSIHIR-SFHVURJKSA-N
MW370.43 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid

2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid (PubChem CID 7045484) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid
PubChem CID7045484
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid
SMILESCc1ccc(N2C(=O)S[C@H](N(CC(=O)O)c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-12-6-8-14(9-7-12)21-17(24)18(26-19(21)25)20(11-16(22)23)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyCDJBCYOJDSIHIR-SFHVURJKSA-N
XLogP3.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid?
The IUPAC name of 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid (CID 7045484) is 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid.
What is the SMILES notation for 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid?
The canonical SMILES for 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid is Cc1ccc(N2C(=O)S[C@H](N(CC(=O)O)c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid?
The InChIKey is CDJBCYOJDSIHIR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-12-6-8-14(9-7-12)21-17(24)18(26-19(21)25)20(11-16(22)23)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid?
2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid has a molecular weight of 370.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid is sourced from PubChem (CID 7045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).