2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide

C17H23N5O2S2 — CID 53300544

IUPAC2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCSCC2)CN1Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H23N5O2S2/c23-26(24)14-17(20-6-8-25-9-7-20)13-22(26)12-16-11-21(19-18-16)10-15-4-2-1-3-5-15/h1-5,11,17H,6-10,12-14H2
InChIKeyFPHTXIWPDYAYTM-UHFFFAOYSA-N
MW393.54 g/mol
LogP0.89
Rot. Bonds5

About 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide

2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 53300544) has the molecular formula C17H23N5O2S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID53300544
Molecular FormulaC17H23N5O2S2
Molecular Weight393.54 g/mol
Exact Mass393.13
IUPAC Name2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCSCC2)CN1Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H23N5O2S2/c23-26(24)14-17(20-6-8-25-9-7-20)13-22(26)12-16-11-21(19-18-16)10-15-4-2-1-3-5-15/h1-5,11,17H,6-10,12-14H2
InChIKeyFPHTXIWPDYAYTM-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide (CID 53300544) is 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCSCC2)CN1Cc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FPHTXIWPDYAYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S2/c23-26(24)14-17(20-6-8-25-9-7-20)13-22(26)12-16-11-21(19-18-16)10-15-4-2-1-3-5-15/h1-5,11,17H,6-10,12-14H2.
What are the key properties of 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 393.54 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyltriazol-4-yl)methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 53300544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).