7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide

C13H8BrFN4OS — CID 107638446

IUPAC7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2Br)sc2nccnc12
InChIInChI=1S/C13H8BrFN4OS/c14-7-2-1-6(15)5-8(7)19-12(20)11-9(16)10-13(21-11)18-4-3-17-10/h1-5H,16H2,(H,19,20)
InChIKeyJCPIPFZGCGFJLX-UHFFFAOYSA-N
MW367.20 g/mol
LogP3.43
Rot. Bonds2

About 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 107638446) has the molecular formula C13H8BrFN4OS and a molecular weight of 367.20 g/mol. Its IUPAC name is 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID107638446
Molecular FormulaC13H8BrFN4OS
Molecular Weight367.20 g/mol
Exact Mass365.96
IUPAC Name7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2Br)sc2nccnc12
InChIInChI=1S/C13H8BrFN4OS/c14-7-2-1-6(15)5-8(7)19-12(20)11-9(16)10-13(21-11)18-4-3-17-10/h1-5H,16H2,(H,19,20)
InChIKeyJCPIPFZGCGFJLX-UHFFFAOYSA-N
XLogP3.43
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 79761881
5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514829
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide
CID 107531684
N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103753515
5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515622
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 107638446) is 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide is Nc1c(C(=O)Nc2cc(F)ccc2Br)sc2nccnc12.
What is the InChIKey of 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is JCPIPFZGCGFJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4OS/c14-7-2-1-6(15)5-8(7)19-12(20)11-9(16)10-13(21-11)18-4-3-17-10/h1-5H,16H2,(H,19,20).
What are the key properties of 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 107638446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).