N-pyrazin-2-yl-1-benzothiophene-3-carboxamide

C13H9N3OS — CID 1247749

IUPACN-pyrazin-2-yl-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cnccn1)c1csc2ccccc12
InChIInChI=1S/C13H9N3OS/c17-13(16-12-7-14-5-6-15-12)10-8-18-11-4-2-1-3-9(10)11/h1-8H,(H,15,16,17)
InChIKeyOOZUJPYLBZSMCV-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

About N-pyrazin-2-yl-1-benzothiophene-3-carboxamide

N-pyrazin-2-yl-1-benzothiophene-3-carboxamide (PubChem CID 1247749) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-pyrazin-2-yl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-1-benzothiophene-3-carboxamide
PubChem CID1247749
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-pyrazin-2-yl-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cnccn1)c1csc2ccccc12
InChIInChI=1S/C13H9N3OS/c17-13(16-12-7-14-5-6-15-12)10-8-18-11-4-2-1-3-9(10)11/h1-8H,(H,15,16,17)
InChIKeyOOZUJPYLBZSMCV-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
5-fluoro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 4792409
N-2-pyrazinyl-2-thiophenecarboxamide
CID 1245526
N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-3-carboxamide
CID 2970959
N-(2-Pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 829296
N-(6-benzamidopyridin-3-yl)thiophene-2-carboxamide
CID 1449342
N-(6-benzamido-4-methylpyridin-3-yl)thiophene-2-carboxamide
CID 1449344
Benzo[b]thiophen-3-yl 4-(2-pyridyl)piperazinyl ketone
CID 753206
Benzothiophen-2-yl-[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 455388
N-(3-imidazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 51194992
(3-Chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023409
(E)-2-phenyl-N-(pyrazin-2-yl)-3-(thiophen-2-yl)acrylamide
CID 44568124

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-pyrazin-2-yl-1-benzothiophene-3-carboxamide (CID 1247749) is N-pyrazin-2-yl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-1-benzothiophene-3-carboxamide is O=C(Nc1cnccn1)c1csc2ccccc12.
What is the InChIKey of N-pyrazin-2-yl-1-benzothiophene-3-carboxamide?
The InChIKey is OOZUJPYLBZSMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13(16-12-7-14-5-6-15-12)10-8-18-11-4-2-1-3-9(10)11/h1-8H,(H,15,16,17).
What are the key properties of N-pyrazin-2-yl-1-benzothiophene-3-carboxamide?
N-pyrazin-2-yl-1-benzothiophene-3-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1247749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).