4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C15H11BrN2OS2 — CID 121177843

IUPAC4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cc(Br)cs1
InChIInChI=1S/C15H11BrN2OS2/c16-12-6-13(21-9-12)15(19)18-7-10-2-1-4-17-14(10)11-3-5-20-8-11/h1-6,8-9H,7H2,(H,18,19)
InChIKeyUNCAOXUYVLGLKT-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.56
Rot. Bonds4

About 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 121177843) has the molecular formula C15H11BrN2OS2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID121177843
Molecular FormulaC15H11BrN2OS2
Molecular Weight379.30 g/mol
Exact Mass377.95
IUPAC Name4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cc(Br)cs1
InChIInChI=1S/C15H11BrN2OS2/c16-12-6-13(21-9-12)15(19)18-7-10-2-1-4-17-14(10)11-3-5-20-8-11/h1-6,8-9H,7H2,(H,18,19)
InChIKeyUNCAOXUYVLGLKT-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 121177843) is 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is O=C(NCc1cccnc1-c1ccsc1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is UNCAOXUYVLGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS2/c16-12-6-13(21-9-12)15(19)18-7-10-2-1-4-17-14(10)11-3-5-20-8-11/h1-6,8-9H,7H2,(H,18,19).
What are the key properties of 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 121177843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).