4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide

C15H12BrN3OS — CID 58622460

IUPAC4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
SMILESCN(c1ccc(Br)cc1)c1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C15H12BrN3OS/c1-19(10-4-2-9(16)3-5-10)12-7-18-8-14-11(12)6-13(21-14)15(17)20/h2-8H,1H3,(H2,17,20)
InChIKeyJTKDEGOPCIKWTE-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.93
Rot. Bonds3

About 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide

4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58622460) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58622460
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
SMILESCN(c1ccc(Br)cc1)c1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C15H12BrN3OS/c1-19(10-4-2-9(16)3-5-10)12-7-18-8-14-11(12)6-13(21-14)15(17)20/h2-8H,1H3,(H2,17,20)
InChIKeyJTKDEGOPCIKWTE-UHFFFAOYSA-N
XLogP3.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide (CID 58622460) is 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide is CN(c1ccc(Br)cc1)c1cncc2sc(C(N)=O)cc12.
What is the InChIKey of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JTKDEGOPCIKWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-19(10-4-2-9(16)3-5-10)12-7-18-8-14-11(12)6-13(21-14)15(17)20/h2-8H,1H3,(H2,17,20).
What are the key properties of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58622460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).