2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide

C15H14BrN5OS — CID 39848914

IUPAC2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1nc(-c2cncc(Br)c2)n[nH]1)NCCc1cccs1
InChIInChI=1S/C15H14BrN5OS/c16-11-6-10(8-17-9-11)15-19-13(20-21-15)7-14(22)18-4-3-12-2-1-5-23-12/h1-2,5-6,8-9H,3-4,7H2,(H,18,22)(H,19,20,21)
InChIKeyCVIFWCIGHVNSTH-UHFFFAOYSA-N
MW392.28 g/mol
LogP2.59
Rot. Bonds6

About 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 39848914) has the molecular formula C15H14BrN5OS and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID39848914
Molecular FormulaC15H14BrN5OS
Molecular Weight392.28 g/mol
Exact Mass391.01
IUPAC Name2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1nc(-c2cncc(Br)c2)n[nH]1)NCCc1cccs1
InChIInChI=1S/C15H14BrN5OS/c16-11-6-10(8-17-9-11)15-19-13(20-21-15)7-14(22)18-4-3-12-2-1-5-23-12/h1-2,5-6,8-9H,3-4,7H2,(H,18,22)(H,19,20,21)
InChIKeyCVIFWCIGHVNSTH-UHFFFAOYSA-N
XLogP2.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 71694697
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
2-(6-bromonaphthalen-2-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 7604570
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 55387581
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 46354883
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 39848914) is 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cc1nc(-c2cncc(Br)c2)n[nH]1)NCCc1cccs1.
What is the InChIKey of 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is CVIFWCIGHVNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5OS/c16-11-6-10(8-17-9-11)15-19-13(20-21-15)7-14(22)18-4-3-12-2-1-5-23-12/h1-2,5-6,8-9H,3-4,7H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 392.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 39848914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).