2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

C16H12BrN3OS — CID 122246168

IUPAC2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1ccccc1Br
InChIInChI=1S/C16H12BrN3OS/c17-13-4-2-1-3-12(13)16(21)20-9-14-15(19-7-6-18-14)11-5-8-22-10-11/h1-8,10H,9H2,(H,20,21)
InChIKeyPCNKQBJNUFIOEF-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.90
Rot. Bonds4

About 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (PubChem CID 122246168) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
PubChem CID122246168
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1ccccc1Br
InChIInChI=1S/C16H12BrN3OS/c17-13-4-2-1-3-12(13)16(21)20-9-14-15(19-7-6-18-14)11-5-8-22-10-11/h1-8,10H,9H2,(H,20,21)
InChIKeyPCNKQBJNUFIOEF-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122246619
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276713
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122276862
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (CID 122246168) is 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is O=C(NCc1nccnc1-c1ccsc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The InChIKey is PCNKQBJNUFIOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-13-4-2-1-3-12(13)16(21)20-9-14-15(19-7-6-18-14)11-5-8-22-10-11/h1-8,10H,9H2,(H,20,21).
What are the key properties of 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide has a molecular weight of 374.26 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122246168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).