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

C14H12N4O2S — CID 655450

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
InChIInChI=1S/C14H12N4O2S/c1-2-20-9-3-4-10-12(7-9)21-14(17-10)18-13(19)11-8-15-5-6-16-11/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyYBXRLEIBTIFFGJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.74
Rot. Bonds4

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 655450) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID655450
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
InChIInChI=1S/C14H12N4O2S/c1-2-20-9-3-4-10-12(7-9)21-14(17-10)18-13(19)11-8-15-5-6-16-11/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyYBXRLEIBTIFFGJ-UHFFFAOYSA-N
XLogP2.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 655450) is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is YBXRLEIBTIFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-2-20-9-3-4-10-12(7-9)21-14(17-10)18-13(19)11-8-15-5-6-16-11/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 655450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).