5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide

C17H14N4O2S — CID 39088470

IUPAC5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(C#N)c(C)n3)sc2c1
InChIInChI=1S/C17H14N4O2S/c1-3-23-12-5-7-13-15(8-12)24-17(20-13)21-16(22)14-6-4-11(9-18)10(2)19-14/h4-8H,3H2,1-2H3,(H,20,21,22)
InChIKeyMAYWXHJLRLWHQQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.52
Rot. Bonds4

About 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide

5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide (PubChem CID 39088470) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide
PubChem CID39088470
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(C#N)c(C)n3)sc2c1
InChIInChI=1S/C17H14N4O2S/c1-3-23-12-5-7-13-15(8-12)24-17(20-13)21-16(22)14-6-4-11(9-18)10(2)19-14/h4-8H,3H2,1-2H3,(H,20,21,22)
InChIKeyMAYWXHJLRLWHQQ-UHFFFAOYSA-N
XLogP3.52
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
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
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
1-(4-chlorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
CID 930081

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide (CID 39088470) is 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc(C#N)c(C)n3)sc2c1.
What is the InChIKey of 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is MAYWXHJLRLWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-3-23-12-5-7-13-15(8-12)24-17(20-13)21-16(22)14-6-4-11(9-18)10(2)19-14/h4-8H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide?
5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 39088470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).