2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide

C16H15N3O2S — CID 2085163

IUPAC2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H15N3O2S/c1-3-21-16-12(5-4-8-17-16)15(20)19-11-6-7-13-14(9-11)22-10(2)18-13/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyOCGQKYGAVQDWEE-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.65
Rot. Bonds4

About 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide

2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide (PubChem CID 2085163) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
PubChem CID2085163
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H15N3O2S/c1-3-21-16-12(5-4-8-17-16)15(20)19-11-6-7-13-14(9-11)22-10(2)18-13/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyOCGQKYGAVQDWEE-UHFFFAOYSA-N
XLogP3.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11639553
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
[2-[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2405941
2-ethoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)nicotinamide
CID 16194617
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-ethoxypyridine-3-carboxylate
CID 2649061
[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 4796033
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72900019
CL-Cob-III-268-7
CID 57412048
1,3-Benzothiazol-2-ylmethyl 2-ethoxypyridine-3-carboxylate
CID 3290969
2-ethoxy-N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)nicotinamide
CID 7087666
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 8117841
N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)-2-methoxynicotinamide
CID 76150447

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide (CID 2085163) is 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The InChIKey is OCGQKYGAVQDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-3-21-16-12(5-4-8-17-16)15(20)19-11-6-7-13-14(9-11)22-10(2)18-13/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2085163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).