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

C10H13N5O2S — CID 104817903

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C10H13N5O2S/c1-3-17-10-13-9(14-15-10)12-8(16)4-7-5-18-6(2)11-7/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyXAUAXNUKQAHZNG-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.15
Rot. Bonds5

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 104817903) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID104817903
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C10H13N5O2S/c1-3-17-10-13-9(14-15-10)12-8(16)4-7-5-18-6(2)11-7/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyXAUAXNUKQAHZNG-UHFFFAOYSA-N
XLogP1.15
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 104817411
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373
N-(2,5-diethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595783
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-nitrophenyl)acetamide
CID 104817564
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 113456543
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 7541045
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
CID 104817809
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 104817903) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCOc1n[nH]c(NC(=O)Cc2csc(C)n2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is XAUAXNUKQAHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-17-10-13-9(14-15-10)12-8(16)4-7-5-18-6(2)11-7/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 267.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 104817903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).