N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C10H13N5O3S — CID 104817431

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)Cn2c(C)csc2=O)n1
InChIInChI=1S/C10H13N5O3S/c1-3-18-9-12-8(13-14-9)11-7(16)4-15-6(2)5-19-10(15)17/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyXQJHEOZVKUJOST-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.37
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 104817431) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID104817431
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)Cn2c(C)csc2=O)n1
InChIInChI=1S/C10H13N5O3S/c1-3-18-9-12-8(13-14-9)11-7(16)4-15-6(2)5-19-10(15)17/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyXQJHEOZVKUJOST-UHFFFAOYSA-N
XLogP0.37
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 104817431) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCOc1n[nH]c(NC(=O)Cn2c(C)csc2=O)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is XQJHEOZVKUJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-3-18-9-12-8(13-14-9)11-7(16)4-15-6(2)5-19-10(15)17/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 283.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 104817431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).