2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H15N5O3S — CID 45493134

IUPAC2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cccs1
InChIInChI=1S/C17H15N5O3S/c23-15(18-9-13-7-4-8-26-13)11-21-16(24)19-14-10-20(17(25)22(14)21)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,23)
InChIKeyYJNTURZACYCCNH-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.41
Rot. Bonds5

About 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 45493134) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID45493134
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cccs1
InChIInChI=1S/C17H15N5O3S/c23-15(18-9-13-7-4-8-26-13)11-21-16(24)19-14-10-20(17(25)22(14)21)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,23)
InChIKeyYJNTURZACYCCNH-UHFFFAOYSA-N
XLogP1.41
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 51049188
2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51052499
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20963084
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3511301
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2117280
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40912799
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16667942

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 45493134) is 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cccs1.
What is the InChIKey of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YJNTURZACYCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c23-15(18-9-13-7-4-8-26-13)11-21-16(24)19-14-10-20(17(25)22(14)21)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,23).
What are the key properties of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 369.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 45493134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).