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

C13H13N5O2S — CID 10902753

IUPACN-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H13N5O2S/c19-11(6-17-9-14-8-15-17)16-18-12(20)7-21-13(18)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2,(H,16,19)
InChIKeyYBHBVSKVUCMDGN-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.58
Rot. Bonds4

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

N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 10902753) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID10902753
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC NameN-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H13N5O2S/c19-11(6-17-9-14-8-15-17)16-18-12(20)7-21-13(18)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2,(H,16,19)
InChIKeyYBHBVSKVUCMDGN-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 10902753) is N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NN1C(=O)CSC1c1ccccc1.
What is the InChIKey of N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YBHBVSKVUCMDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-11(6-17-9-14-8-15-17)16-18-12(20)7-21-13(18)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2,(H,16,19).
What are the key properties of N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 303.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 10902753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).