3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide

C16H15N5O2S — CID 9489392

IUPAC3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C16H15N5O2S/c1-2-17-12(22)9-20-15(23)13-14(19-8-7-18-13)16-21-10-5-3-4-6-11(10)24-16/h3-8H,2,9H2,1H3,(H,17,22)(H,20,23)
InChIKeySEDBBJYDBFPFMD-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.62
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide

3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 9489392) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID9489392
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C16H15N5O2S/c1-2-17-12(22)9-20-15(23)13-14(19-8-7-18-13)16-21-10-5-3-4-6-11(10)24-16/h3-8H,2,9H2,1H3,(H,17,22)(H,20,23)
InChIKeySEDBBJYDBFPFMD-UHFFFAOYSA-N
XLogP1.62
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[4-(diethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 24560597
3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 24668934
3-(1,3-benzothiazol-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]pyrazine-2-carboxamide
CID 24676182
(4-acetylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 9043335
[2-(4-fluoroanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 8003100
3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 24685370
(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 166220972
5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 46461899
2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide
CID 7708389
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
CID 18858913
3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 32567705

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide (CID 9489392) is 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide is CCNC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is SEDBBJYDBFPFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-2-17-12(22)9-20-15(23)13-14(19-8-7-18-13)16-21-10-5-3-4-6-11(10)24-16/h3-8H,2,9H2,1H3,(H,17,22)(H,20,23).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide?
3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 9489392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).