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

C14H9BrFN3OS — CID 143635971

IUPAC3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ccncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3OS/c15-7-1-2-10(9(16)5-7)19-12-8-6-18-4-3-11(8)21-13(12)14(17)20/h1-6,19H,(H2,17,20)
InChIKeyMUSVAVYWGVOANT-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.04
Rot. Bonds3

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

3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 143635971) has the molecular formula C14H9BrFN3OS and a molecular weight of 366.22 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID143635971
Molecular FormulaC14H9BrFN3OS
Molecular Weight366.22 g/mol
Exact Mass364.96
IUPAC Name3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ccncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3OS/c15-7-1-2-10(9(16)5-7)19-12-8-6-18-4-3-11(8)21-13(12)14(17)20/h1-6,19H,(H2,17,20)
InChIKeyMUSVAVYWGVOANT-UHFFFAOYSA-N
XLogP4.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide (CID 143635971) is 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide is NC(=O)c1sc2ccncc2c1Nc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is MUSVAVYWGVOANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3OS/c15-7-1-2-10(9(16)5-7)19-12-8-6-18-4-3-11(8)21-13(12)14(17)20/h1-6,19H,(H2,17,20).
What are the key properties of 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide?
3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 143635971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).