2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide

C14H13N5O4S — CID 156597974

IUPAC2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESO=C(Cn1nncc1CN1C(=O)CSC1=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13N5O4S/c20-11-3-1-2-9(4-11)16-12(21)7-19-10(5-15-17-19)6-18-13(22)8-24-14(18)23/h1-5,20H,6-8H2,(H,16,21)
InChIKeyFZQWCWPAPCJSEJ-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.82
Rot. Bonds5

About 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide

2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 156597974) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID156597974
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC Name2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESO=C(Cn1nncc1CN1C(=O)CSC1=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13N5O4S/c20-11-3-1-2-9(4-11)16-12(21)7-19-10(5-15-17-19)6-18-13(22)8-24-14(18)23/h1-5,20H,6-8H2,(H,16,21)
InChIKeyFZQWCWPAPCJSEJ-UHFFFAOYSA-N
XLogP0.82
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 156597974) is 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide is O=C(Cn1nncc1CN1C(=O)CSC1=O)Nc1cccc(O)c1.
What is the InChIKey of 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is FZQWCWPAPCJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c20-11-3-1-2-9(4-11)16-12(21)7-19-10(5-15-17-19)6-18-13(22)8-24-14(18)23/h1-5,20H,6-8H2,(H,16,21).
What are the key properties of 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 347.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 156597974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).