N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

C21H23N3O3S — CID 110629694

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-24(13-19(25)15-6-9-17(27-2)10-7-15)20(26)11-8-16-14-28-21(23-16)18-5-3-4-12-22-18/h3-7,9-10,12,14,19,25H,8,11,13H2,1-2H3
InChIKeyGVIKFQMMIYFFQB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.34
Rot. Bonds8

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110629694) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110629694
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-24(13-19(25)15-6-9-17(27-2)10-7-15)20(26)11-8-16-14-28-21(23-16)18-5-3-4-12-22-18/h3-7,9-10,12,14,19,25H,8,11,13H2,1-2H3
InChIKeyGVIKFQMMIYFFQB-UHFFFAOYSA-N
XLogP3.34
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110313153
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
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N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
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N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418
methyl 2-[propan-2-yl-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 78878085
N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
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2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110629694) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is COc1ccc(C(O)CN(C)C(=O)CCc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is GVIKFQMMIYFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-24(13-19(25)15-6-9-17(27-2)10-7-15)20(26)11-8-16-14-28-21(23-16)18-5-3-4-12-22-18/h3-7,9-10,12,14,19,25H,8,11,13H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 397.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110629694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).