N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide

C12H11BrN2OS — CID 81489498

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
SMILESCc1cc(Br)cnc1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H11BrN2OS/c1-8-4-10(13)6-14-12(8)15-11(16)5-9-2-3-17-7-9/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyOXGOSWNOOQOYHQ-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.40
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide (PubChem CID 81489498) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
PubChem CID81489498
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
SMILESCc1cc(Br)cnc1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H11BrN2OS/c1-8-4-10(13)6-14-12(8)15-11(16)5-9-2-3-17-7-9/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyOXGOSWNOOQOYHQ-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide (CID 81489498) is N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide is Cc1cc(Br)cnc1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide?
The InChIKey is OXGOSWNOOQOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-4-10(13)6-14-12(8)15-11(16)5-9-2-3-17-7-9/h2-4,6-7H,5H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide has a molecular weight of 311.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 81489498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).