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

C16H19N5O2S — CID 71592535

IUPAC(2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1S[C@H](c2ccccc2)N(c2nc(N3CCOCC3)n[nH]2)C1=O
InChIInChI=1S/C16H19N5O2S/c1-11-13(22)21(14(24-11)12-5-3-2-4-6-12)16-17-15(18-19-16)20-7-9-23-10-8-20/h2-6,11,14H,7-10H2,1H3,(H,17,18,19)/t11?,14-/m1/s1
InChIKeyARLATBOTHBFQOV-SBXXRYSUSA-N
MW345.43 g/mol
LogP1.81
Rot. Bonds3

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

(2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 71592535) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID71592535
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1S[C@H](c2ccccc2)N(c2nc(N3CCOCC3)n[nH]2)C1=O
InChIInChI=1S/C16H19N5O2S/c1-11-13(22)21(14(24-11)12-5-3-2-4-6-12)16-17-15(18-19-16)20-7-9-23-10-8-20/h2-6,11,14H,7-10H2,1H3,(H,17,18,19)/t11?,14-/m1/s1
InChIKeyARLATBOTHBFQOV-SBXXRYSUSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-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

Related Compounds

3-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
CID 2844536
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 24687786
5-methyl-2-(4-methylphenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
CID 76418224
(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 71592432
(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-thiazolidin-4-one
CID 71592575
(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-(p-tolyl)thiazolidin-4-one
CID 71592579
(2R)-2-(4-chlorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 56593510
(2R)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-phenyl-thiazolidin-4-one
CID 71592504
(2R)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-(p-tolyl)thiazolidin-4-one
CID 71592536
(2R)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-(p-tolyl)thiazolidin-4-one
CID 71592537
(2R)-2-(4-chlorophenyl)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592538
(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592542

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one (CID 71592535) is (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one is CC1S[C@H](c2ccccc2)N(c2nc(N3CCOCC3)n[nH]2)C1=O.
What is the InChIKey of (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is ARLATBOTHBFQOV-SBXXRYSUSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-13(22)21(14(24-11)12-5-3-2-4-6-12)16-17-15(18-19-16)20-7-9-23-10-8-20/h2-6,11,14H,7-10H2,1H3,(H,17,18,19)/t11?,14-/m1/s1.
What are the key properties of (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
(2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 345.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).