N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

C13H7BrFN3OS — CID 80502021

IUPACN-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H7BrFN3OS/c14-11-5-17-12(6-16-11)18-13(19)10-3-7-1-2-8(15)4-9(7)20-10/h1-6H,(H,17,18,19)
InChIKeyJBSPWKOTBJXRQR-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.85
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 80502021) has the molecular formula C13H7BrFN3OS and a molecular weight of 352.19 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID80502021
Molecular FormulaC13H7BrFN3OS
Molecular Weight352.19 g/mol
Exact Mass350.95
IUPAC NameN-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H7BrFN3OS/c14-11-5-17-12(6-16-11)18-13(19)10-3-7-1-2-8(15)4-9(7)20-10/h1-6H,(H,17,18,19)
InChIKeyJBSPWKOTBJXRQR-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 112723705
N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105063
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 80502021) is N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cnc(Br)cn1)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is JBSPWKOTBJXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3OS/c14-11-5-17-12(6-16-11)18-13(19)10-3-7-1-2-8(15)4-9(7)20-10/h1-6H,(H,17,18,19).
What are the key properties of N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 80502021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).