2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide

C19H19N3O3S — CID 1425019

IUPAC2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
SMILESCc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-12-6-8-14(9-7-12)21(11-16(20)23)18-17(24)22(19(25)26-18)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3,(H2,20,23)/t18-/m1/s1
InChIKeyWCMCMAMJWUQJSI-GOSISDBHSA-N
MW369.45 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide

2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide (PubChem CID 1425019) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
PubChem CID1425019
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
SMILESCc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-12-6-8-14(9-7-12)21(11-16(20)23)18-17(24)22(19(25)26-18)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3,(H2,20,23)/t18-/m1/s1
InChIKeyWCMCMAMJWUQJSI-GOSISDBHSA-N
XLogP2.82
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
The IUPAC name of 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide (CID 1425019) is 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide.
What is the SMILES notation for 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
The canonical SMILES for 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide is Cc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
The InChIKey is WCMCMAMJWUQJSI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-6-8-14(9-7-12)21(11-16(20)23)18-17(24)22(19(25)26-18)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3,(H2,20,23)/t18-/m1/s1.
What are the key properties of 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide is sourced from PubChem (CID 1425019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).