2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C18H19N3O2S — CID 4782988

IUPAC2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)c1nc2c(C)cccc2s1
InChIInChI=1S/C18H19N3O2S/c1-4-21(17(22)13-9-7-11-19-16(13)23-5-2)18-20-15-12(3)8-6-10-14(15)24-18/h6-11H,4-5H2,1-3H3
InChIKeySWTMJUGECHFFJN-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.07
Rot. Bonds5

About 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 4782988) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID4782988
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)c1nc2c(C)cccc2s1
InChIInChI=1S/C18H19N3O2S/c1-4-21(17(22)13-9-7-11-19-16(13)23-5-2)18-20-15-12(3)8-6-10-14(15)24-18/h6-11H,4-5H2,1-3H3
InChIKeySWTMJUGECHFFJN-UHFFFAOYSA-N
XLogP4.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 18193231
2-bromo-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4799193
N-[2-(diethylamino)ethyl]-2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511493
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 41055349
N-[2-(diethylamino)ethyl]-4-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925835
N-(2,4-dimethylphenyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 86927149
2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4802566
2-(4-ethoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 40700444
N-[2-(diethylamino)ethyl]-2,4-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511519
N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 8850091
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylbenzamide
CID 7511707
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 4782988) is 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)c1nc2c(C)cccc2s1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SWTMJUGECHFFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-4-21(17(22)13-9-7-11-19-16(13)23-5-2)18-20-15-12(3)8-6-10-14(15)24-18/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4782988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).