N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C9H13N5O3S — CID 83101025

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCN2CCSC2=O)n1
InChIInChI=1S/C9H13N5O3S/c1-17-8-11-7(12-13-8)10-6(15)2-3-14-4-5-18-9(14)16/h2-5H2,1H3,(H2,10,11,12,13,15)
InChIKeyRHUXRMBUAIBYPU-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.31
Rot. Bonds5

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 83101025) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID83101025
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCN2CCSC2=O)n1
InChIInChI=1S/C9H13N5O3S/c1-17-8-11-7(12-13-8)10-6(15)2-3-14-4-5-18-9(14)16/h2-5H2,1H3,(H2,10,11,12,13,15)
InChIKeyRHUXRMBUAIBYPU-UHFFFAOYSA-N
XLogP0.31
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 83101025) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is COc1n[nH]c(NC(=O)CCN2CCSC2=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is RHUXRMBUAIBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-17-8-11-7(12-13-8)10-6(15)2-3-14-4-5-18-9(14)16/h2-5H2,1H3,(H2,10,11,12,13,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 271.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 83101025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).