2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C9H9N5O4S — CID 66374911

IUPAC2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNc2n[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9N5O4S/c15-7-6(13-14-9(18)12-7)10-2-1-5-11-4(3-19-5)8(16)17/h3H,1-2H2,(H,10,13)(H,16,17)(H2,12,14,15,18)
InChIKeyBYODOTGKOZBVGX-UHFFFAOYSA-N
MW283.27 g/mol
LogP-0.73
Rot. Bonds5

About 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374911) has the molecular formula C9H9N5O4S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374911
Molecular FormulaC9H9N5O4S
Molecular Weight283.27 g/mol
Exact Mass283.04
IUPAC Name2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNc2n[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9N5O4S/c15-7-6(13-14-9(18)12-7)10-2-1-5-11-4(3-19-5)8(16)17/h3H,1-2H2,(H,10,13)(H,16,17)(H2,12,14,15,18)
InChIKeyBYODOTGKOZBVGX-UHFFFAOYSA-N
XLogP-0.73
TPSA140.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372798
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
2-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 135100672
2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373956
2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372505
2-[2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 86285890
2-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 122561182
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
2-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372612
2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374911) is 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCNc2n[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BYODOTGKOZBVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4S/c15-7-6(13-14-9(18)12-7)10-2-1-5-11-4(3-19-5)8(16)17/h3H,1-2H2,(H,10,13)(H,16,17)(H2,12,14,15,18).
What are the key properties of 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of -0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).