N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C13H10N4O2S — CID 862121

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
InChIInChI=1S/C13H10N4O2S/c1-19-8-2-3-9-11(6-8)20-13(16-9)17-12(18)10-7-14-4-5-15-10/h2-7H,1H3,(H,16,17,18)
InChIKeyIFJFOLOYHFRQBP-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.35
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 862121) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID862121
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
InChIInChI=1S/C13H10N4O2S/c1-19-8-2-3-9-11(6-8)20-13(16-9)17-12(18)10-7-14-4-5-15-10/h2-7H,1H3,(H,16,17,18)
InChIKeyIFJFOLOYHFRQBP-UHFFFAOYSA-N
XLogP2.35
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 862121) is N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is COc1ccc2nc(NC(=O)c3cnccn3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is IFJFOLOYHFRQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-19-8-2-3-9-11(6-8)20-13(16-9)17-12(18)10-7-14-4-5-15-10/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 862121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).