N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

C18H14N6O4S — CID 71788475

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3coc(NC(=O)c4cnccn4)n3)sc2c1
InChIInChI=1S/C18H14N6O4S/c1-2-27-10-3-4-11-14(7-10)29-18(22-11)24-16(26)13-9-28-17(21-13)23-15(25)12-8-19-5-6-20-12/h3-9H,2H2,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyLDZWWEBGDBWAPH-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.98
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788475) has the molecular formula C18H14N6O4S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788475
Molecular FormulaC18H14N6O4S
Molecular Weight410.42 g/mol
Exact Mass410.08
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3coc(NC(=O)c4cnccn4)n3)sc2c1
InChIInChI=1S/C18H14N6O4S/c1-2-27-10-3-4-11-14(7-10)29-18(22-11)24-16(26)13-9-28-17(21-13)23-15(25)12-8-19-5-6-20-12/h3-9H,2H2,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyLDZWWEBGDBWAPH-UHFFFAOYSA-N
XLogP2.98
TPSA132.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788477
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
6-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 78859276
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 1395435
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788475) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is CCOc1ccc2nc(NC(=O)c3coc(NC(=O)c4cnccn4)n3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is LDZWWEBGDBWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4S/c1-2-27-10-3-4-11-14(7-10)29-18(22-11)24-16(26)13-9-28-17(21-13)23-15(25)12-8-19-5-6-20-12/h3-9H,2H2,1H3,(H,21,23,25)(H,22,24,26).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).