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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2314215
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-(5-bromopyridin-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 17024255
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107042
N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 685128
N-pyridin-2-yl-2-thiophen-2-ylacetamide
CID 836204
N-((3-Methylpyridin-2-yl)carbamothioyl)thiophene-2-carboxamide
CID 694350
N-[(5-bromopyridin-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 739034
N-[(4-methylpyridin-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 817344
N-(4-methyl-2-pyridinyl)-3-(2-thienyl)acrylamide
CID 845032

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).