N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide

C22H19N3OS — CID 18276310

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide
SMILESCCc1ccc(N(C(=O)c2ccc(C)nc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H19N3OS/c1-3-16-9-12-18(13-10-16)25(21(26)17-11-8-15(2)23-14-17)22-24-19-6-4-5-7-20(19)27-22/h4-14H,3H2,1-2H3
InChIKeyJRODVSSKSHWAPB-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.54
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 18276310) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide
PubChem CID18276310
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide
SMILESCCc1ccc(N(C(=O)c2ccc(C)nc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H19N3OS/c1-3-16-9-12-18(13-10-16)25(21(26)17-11-8-15(2)23-14-17)22-24-19-6-4-5-7-20(19)27-22/h4-14H,3H2,1-2H3
InChIKeyJRODVSSKSHWAPB-UHFFFAOYSA-N
XLogP5.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1,4-dithiane-2-carboxamide
CID 112760795
(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 7947698
N-(1,3-benzothiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 55381075
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603331
N-(1,3-benzothiazol-2-yl)-6-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 31111341
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830366
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657044
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
1-(1,3-benzothiazol-2-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 113457171
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55333887

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide (CID 18276310) is N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide is CCc1ccc(N(C(=O)c2ccc(C)nc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is JRODVSSKSHWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-3-16-9-12-18(13-10-16)25(21(26)17-11-8-15(2)23-14-17)22-24-19-6-4-5-7-20(19)27-22/h4-14H,3H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 18276310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).