3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide

C10H8BrN3OS — CID 106832316

IUPAC3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccnn1)c1sccc1Br
InChIInChI=1S/C10H8BrN3OS/c11-8-3-5-16-9(8)10(15)12-6-7-2-1-4-13-14-7/h1-5H,6H2,(H,12,15)
InChIKeyXENTYCCYRLIVPE-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.23
Rot. Bonds3

About 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide

3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 106832316) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID106832316
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccnn1)c1sccc1Br
InChIInChI=1S/C10H8BrN3OS/c11-8-3-5-16-9(8)10(15)12-6-7-2-1-4-13-14-7/h1-5H,6H2,(H,12,15)
InChIKeyXENTYCCYRLIVPE-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide 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-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 106896733
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 47220417

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide (CID 106832316) is 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccnn1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XENTYCCYRLIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-8-3-5-16-9(8)10(15)12-6-7-2-1-4-13-14-7/h1-5H,6H2,(H,12,15).
What are the key properties of 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide?
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106832316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).