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

C18H23N5O4S — CID 71592573

IUPAC(2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@H]2SC(C)C(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1OC
InChIInChI=1S/C18H23N5O4S/c1-11-15(24)23(18-19-17(20-21-18)22-6-8-27-9-7-22)16(28-11)12-4-5-13(25-2)14(10-12)26-3/h4-5,10-11,16H,6-9H2,1-3H3,(H,19,20,21)/t11?,16-/m1/s1
InChIKeySVOXUQGOAONZHY-WVQRXBFSSA-N
MW405.48 g/mol
LogP1.83
Rot. Bonds5

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

(2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 71592573) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID71592573
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name(2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@H]2SC(C)C(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1OC
InChIInChI=1S/C18H23N5O4S/c1-11-15(24)23(18-19-17(20-21-18)22-6-8-27-9-7-22)16(28-11)12-4-5-13(25-2)14(10-12)26-3/h4-5,10-11,16H,6-9H2,1-3H3,(H,19,20,21)/t11?,16-/m1/s1
InChIKeySVOXUQGOAONZHY-WVQRXBFSSA-N
XLogP1.83
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2401418
2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
CID 56839618
2-(1,3-benzodioxol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
CID 56839847
(2R)-2-(1,3-benzodioxol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 56593511
(2R)-2-(3,4-dimethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 71592435
(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 56593509
(2R)-2-(1,3-benzodioxol-5-yl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 56593512
(2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 71592436
(2R)-2-(3,4-dimethoxyphenyl)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592543
(2R)-2-(1,3-benzodioxol-5-yl)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592574
2-(1,3-benzodioxol-5-yl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
CID 76370612
N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56239528

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (CID 71592573) is (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-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-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is COc1ccc([C@H]2SC(C)C(=O)N2c2nc(N3CCOCC3)n[nH]2)cc1OC.
What is the InChIKey of (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is SVOXUQGOAONZHY-WVQRXBFSSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-11-15(24)23(18-19-17(20-21-18)22-6-8-27-9-7-22)16(28-11)12-4-5-13(25-2)14(10-12)26-3/h4-5,10-11,16H,6-9H2,1-3H3,(H,19,20,21)/t11?,16-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
(2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 405.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethoxyphenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).