1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate

C13H9N3O2S — CID 2364899

IUPAC1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate
SMILESO=C(OCc1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C13H9N3O2S/c17-13(10-7-14-5-6-15-10)18-8-12-16-9-3-1-2-4-11(9)19-12/h1-7H,8H2
InChIKeyGKBOGBQFUNCQJV-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.44
Rot. Bonds3

About 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate

1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate (PubChem CID 2364899) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate
PubChem CID2364899
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate
SMILESO=C(OCc1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C13H9N3O2S/c17-13(10-7-14-5-6-15-10)18-8-12-16-9-3-1-2-4-11(9)19-12/h1-7H,8H2
InChIKeyGKBOGBQFUNCQJV-UHFFFAOYSA-N
XLogP2.44
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 1480574
Propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067630
3-(1,3-Benzothiazol-2-yl)pyrazine-2-carboxylic acid
CID 2049792
Imidazo[2,1-b]benzothiazole-3-carboxylic acid ethyl ester
CID 10890197
Ethyl 2-(5-fluoropyridin-2-yl)-5-morpholinothiazole-4-carboxylate
CID 126482357
Ethyl (1,3)thiazolo(5,4-b)pyridine-2-carboxylate
CID 65335468
Methyl 1-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)triazole-4-carboxylate
CID 70697126
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
(2-Phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2395270
3-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 8034903
[2-Oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 5-methylpyrazine-2-carboxylate
CID 2344874
Ethyl 6-fluorothiazolo[4,5-c]pyridine-2-carboxylate
CID 162686533

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate (CID 2364899) is 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate is O=C(OCc1nc2ccccc2s1)c1cnccn1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate?
The InChIKey is GKBOGBQFUNCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-13(10-7-14-5-6-15-10)18-8-12-16-9-3-1-2-4-11(9)19-12/h1-7H,8H2.
What are the key properties of 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate?
1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate has a molecular weight of 271.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl pyrazine-2-carboxylate is sourced from PubChem (CID 2364899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).