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

C17H21N5O2S — CID 71592537

IUPAC(2R)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc([C@H]2SC(C)C(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C17H21N5O2S/c1-11-3-5-13(6-4-11)15-22(14(23)12(2)25-15)17-18-16(19-20-17)21-7-9-24-10-8-21/h3-6,12,15H,7-10H2,1-2H3,(H,18,19,20)/t12?,15-/m1/s1
InChIKeyRJXYJATZOOUBKD-WPZCJLIBSA-N
MW359.46 g/mol
LogP2.12
Rot. Bonds3

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

(2R)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 71592537) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (2R)-5-methyl-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)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID71592537
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(2R)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc([C@H]2SC(C)C(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C17H21N5O2S/c1-11-3-5-13(6-4-11)15-22(14(23)12(2)25-15)17-18-16(19-20-17)21-7-9-24-10-8-21/h3-6,12,15H,7-10H2,1-2H3,(H,18,19,20)/t12?,15-/m1/s1
InChIKeyRJXYJATZOOUBKD-WPZCJLIBSA-N
XLogP2.12
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyl-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)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (CID 71592537) is (2R)-5-methyl-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)-5-methyl-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)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is Cc1ccc([C@H]2SC(C)C(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1.
What is the InChIKey of (2R)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is RJXYJATZOOUBKD-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-3-5-13(6-4-11)15-22(14(23)12(2)25-15)17-18-16(19-20-17)21-7-9-24-10-8-21/h3-6,12,15H,7-10H2,1-2H3,(H,18,19,20)/t12?,15-/m1/s1.
What are the key properties of (2R)-5-methyl-2-(4-methylphenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
(2R)-5-methyl-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 359.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyl-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 71592537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).