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

C8H11N5O3S — CID 83102521

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN2CSCC2=O)n1
InChIInChI=1S/C8H11N5O3S/c1-16-8-10-7(11-12-8)9-5(14)2-13-4-17-3-6(13)15/h2-4H2,1H3,(H2,9,10,11,12,14)
InChIKeyUIEZPXLFTFSGPC-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.72
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 83102521) has the molecular formula C8H11N5O3S and a molecular weight of 257.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID83102521
Molecular FormulaC8H11N5O3S
Molecular Weight257.27 g/mol
Exact Mass257.06
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN2CSCC2=O)n1
InChIInChI=1S/C8H11N5O3S/c1-16-8-10-7(11-12-8)9-5(14)2-13-4-17-3-6(13)15/h2-4H2,1H3,(H2,9,10,11,12,14)
InChIKeyUIEZPXLFTFSGPC-UHFFFAOYSA-N
XLogP-0.72
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 83102521) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is COc1n[nH]c(NC(=O)CN2CSCC2=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is UIEZPXLFTFSGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3S/c1-16-8-10-7(11-12-8)9-5(14)2-13-4-17-3-6(13)15/h2-4H2,1H3,(H2,9,10,11,12,14).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 257.27 g/mol, XLogP of -0.72, 4 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)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 83102521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).