N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C8H11N5O2S — CID 78927882

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1nc(NC(=O)CN2CSCC2=O)n[nH]1
InChIInChI=1S/C8H11N5O2S/c1-5-9-8(12-11-5)10-6(14)2-13-4-16-3-7(13)15/h2-4H2,1H3,(H2,9,10,11,12,14)
InChIKeyQUGCCUAJMBWDSD-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.42
Rot. Bonds3

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 78927882) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID78927882
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1nc(NC(=O)CN2CSCC2=O)n[nH]1
InChIInChI=1S/C8H11N5O2S/c1-5-9-8(12-11-5)10-6(14)2-13-4-16-3-7(13)15/h2-4H2,1H3,(H2,9,10,11,12,14)
InChIKeyQUGCCUAJMBWDSD-UHFFFAOYSA-N
XLogP-0.42
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 78927882) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1nc(NC(=O)CN2CSCC2=O)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is QUGCCUAJMBWDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-5-9-8(12-11-5)10-6(14)2-13-4-16-3-7(13)15/h2-4H2,1H3,(H2,9,10,11,12,14).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 241.28 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 78927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).