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

C17H17N3O2S — CID 18193231

IUPACN-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)c1nc2ccccc2s1
InChIInChI=1S/C17H17N3O2S/c1-3-20(17-19-13-9-5-6-10-14(13)23-17)16(21)12-8-7-11-18-15(12)22-4-2/h5-11H,3-4H2,1-2H3
InChIKeyNPHSGWYUPQVKHT-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.76
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide (PubChem CID 18193231) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
PubChem CID18193231
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)c1nc2ccccc2s1
InChIInChI=1S/C17H17N3O2S/c1-3-20(17-19-13-9-5-6-10-14(13)23-17)16(21)12-8-7-11-18-15(12)22-4-2/h5-11H,3-4H2,1-2H3
InChIKeyNPHSGWYUPQVKHT-UHFFFAOYSA-N
XLogP3.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 4782988
N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide
CID 8012636
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
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N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
[2-(1,3-benzothiazol-2-yl)phenyl] 2-ethoxypyridine-3-carboxylate
CID 7936346
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide (CID 18193231) is N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
The InChIKey is NPHSGWYUPQVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-20(17-19-13-9-5-6-10-14(13)23-17)16(21)12-8-7-11-18-15(12)22-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 18193231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).