5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide

C12H11BrN2O2S — CID 31816186

IUPAC5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2csc(Br)c2)ccn1
InChIInChI=1S/C12H11BrN2O2S/c1-17-11-4-8(2-3-14-11)6-15-12(16)9-5-10(13)18-7-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyYNQNFBHJHHNYBY-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.84
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 31816186) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID31816186
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2csc(Br)c2)ccn1
InChIInChI=1S/C12H11BrN2O2S/c1-17-11-4-8(2-3-14-11)6-15-12(16)9-5-10(13)18-7-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyYNQNFBHJHHNYBY-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide (CID 31816186) is 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide is COc1cc(CNC(=O)c2csc(Br)c2)ccn1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is YNQNFBHJHHNYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-17-11-4-8(2-3-14-11)6-15-12(16)9-5-10(13)18-7-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 31816186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).