N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide

C9H7BrN4OS — CID 103602102

IUPACN-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ncc(Br)s2)cn1
InChIInChI=1S/C9H7BrN4OS/c1-5-2-12-6(3-11-5)8(15)14-9-13-4-7(10)16-9/h2-4H,1H3,(H,13,14,15)
InChIKeyAQLVMBGZTKOBCF-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.26
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide (PubChem CID 103602102) has the molecular formula C9H7BrN4OS and a molecular weight of 299.15 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
PubChem CID103602102
Molecular FormulaC9H7BrN4OS
Molecular Weight299.15 g/mol
Exact Mass297.95
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ncc(Br)s2)cn1
InChIInChI=1S/C9H7BrN4OS/c1-5-2-12-6(3-11-5)8(15)14-9-13-4-7(10)16-9/h2-4H,1H3,(H,13,14,15)
InChIKeyAQLVMBGZTKOBCF-UHFFFAOYSA-N
XLogP2.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 47028163
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N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 55050505
N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 130821730
N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60784496
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 60784493
N-(5-bromo-1,3-thiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 54860719
N-(5-bromo-1,3-thiazol-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55052576
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82815247

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide (CID 103602102) is N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ncc(Br)s2)cn1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
The InChIKey is AQLVMBGZTKOBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4OS/c1-5-2-12-6(3-11-5)8(15)14-9-13-4-7(10)16-9/h2-4H,1H3,(H,13,14,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide has a molecular weight of 299.15 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103602102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).