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

C16H17N5O4S — CID 56593509

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc3c(c2)OCO3)N1c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C16H17N5O4S/c22-13-8-26-14(10-1-2-11-12(7-10)25-9-24-11)21(13)16-17-15(18-19-16)20-3-5-23-6-4-20/h1-2,7,14H,3-6,8-9H2,(H,17,18,19)/t14-/m1/s1
InChIKeyYDQMVPLYDUTGRL-CQSZACIVSA-N
MW375.41 g/mol
LogP1.15
Rot. Bonds3

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

(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 56593509) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID56593509
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc3c(c2)OCO3)N1c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C16H17N5O4S/c22-13-8-26-14(10-1-2-11-12(7-10)25-9-24-11)21(13)16-17-15(18-19-16)20-3-5-23-6-4-20/h1-2,7,14H,3-6,8-9H2,(H,17,18,19)/t14-/m1/s1
InChIKeyYDQMVPLYDUTGRL-CQSZACIVSA-N
XLogP1.15
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
CID 71592432
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 2987831
2-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 126478989
2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 13317425
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
CID 3804922
2-(3-hydroxyphenyl)-3-(4-morpholin-4-ylphenyl)-1,3-thiazolidin-4-one
CID 10360916
2-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 3692735
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912254
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3841228
2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl-diethyl-methylazanium iodide
CID 134108977
N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 71956464
(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
CID 749249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (CID 56593509) is (2R)-2-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccc3c(c2)OCO3)N1c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is YDQMVPLYDUTGRL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N5O4S/c22-13-8-26-14(10-1-2-11-12(7-10)25-9-24-11)21(13)16-17-15(18-19-16)20-3-5-23-6-4-20/h1-2,7,14H,3-6,8-9H2,(H,17,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 375.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 56593509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).