2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

C13H13N5O2S — CID 37121401

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C13H13N5O2S/c19-12(5-17-9-21-6-13(17)20)16-10-1-3-11(4-2-10)18-8-14-7-15-18/h1-4,7-8H,5-6,9H2,(H,16,19)
InChIKeyHQJXGOATRLHOCX-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.74
Rot. Bonds4

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 37121401) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID37121401
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C13H13N5O2S/c19-12(5-17-9-21-6-13(17)20)16-10-1-3-11(4-2-10)18-8-14-7-15-18/h1-4,7-8H,5-6,9H2,(H,16,19)
InChIKeyHQJXGOATRLHOCX-UHFFFAOYSA-N
XLogP0.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
N-(6-amino-3-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119516443
2-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]sulfanylacetic acid
CID 104569135
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 42311249
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9328678
5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 37121401) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(CN1CSCC1=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is HQJXGOATRLHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-12(5-17-9-21-6-13(17)20)16-10-1-3-11(4-2-10)18-8-14-7-15-18/h1-4,7-8H,5-6,9H2,(H,16,19).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 303.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 37121401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).