(2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one

C16H19N5O2S — CID 71592536

IUPAC(2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc([C@H]2SCC(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C16H19N5O2S/c1-11-2-4-12(5-3-11)14-21(13(22)10-24-14)16-17-15(18-19-16)20-6-8-23-9-7-20/h2-5,14H,6-10H2,1H3,(H,17,18,19)/t14-/m1/s1
InChIKeyGFBMIDQVLPHLQH-CQSZACIVSA-N
MW345.43 g/mol
LogP1.73
Rot. Bonds3

About (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one

(2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 71592536) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID71592536
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc([C@H]2SCC(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C16H19N5O2S/c1-11-2-4-12(5-3-11)14-21(13(22)10-24-14)16-17-15(18-19-16)20-6-8-23-9-7-20/h2-5,14H,6-10H2,1H3,(H,17,18,19)/t14-/m1/s1
InChIKeyGFBMIDQVLPHLQH-CQSZACIVSA-N
XLogP1.73
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (CID 71592536) is (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is Cc1ccc([C@H]2SCC(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is GFBMIDQVLPHLQH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-2-4-12(5-3-11)14-21(13(22)10-24-14)16-17-15(18-19-16)20-6-8-23-9-7-20/h2-5,14H,6-10H2,1H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
(2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 345.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).