2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide

C20H21N3O3S — CID 110395441

IUPAC2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCc1sc(-c2ccccn2)nc1C
InChIInChI=1S/C20H21N3O3S/c1-13-17(27-20(23-13)14-7-4-5-11-21-14)10-12-22-19(24)18-15(25-2)8-6-9-16(18)26-3/h4-9,11H,10,12H2,1-3H3,(H,22,24)
InChIKeyWAUQJUIQVAOSLK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.50
Rot. Bonds7

About 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide

2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110395441) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110395441
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCc1sc(-c2ccccn2)nc1C
InChIInChI=1S/C20H21N3O3S/c1-13-17(27-20(23-13)14-7-4-5-11-21-14)10-12-22-19(24)18-15(25-2)8-6-9-16(18)26-3/h4-9,11H,10,12H2,1-3H3,(H,22,24)
InChIKeyWAUQJUIQVAOSLK-UHFFFAOYSA-N
XLogP3.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110395472
2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395471
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7518044
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
CID 7503044
2,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717671
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110395441) is 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide is COc1cccc(OC)c1C(=O)NCCc1sc(-c2ccccn2)nc1C.
What is the InChIKey of 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is WAUQJUIQVAOSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-17(27-20(23-13)14-7-4-5-11-21-14)10-12-22-19(24)18-15(25-2)8-6-9-16(18)26-3/h4-9,11H,10,12H2,1-3H3,(H,22,24).
What are the key properties of 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110395441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).