N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C20H21N3O2S — CID 16564283

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H21N3O2S/c1-14-6-7-18(25-2)15(11-14)8-10-22-19(24)12-16-13-26-20(23-16)17-5-3-4-9-21-17/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,24)
InChIKeyVUAHBYGDWHIBRI-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16564283) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16564283
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H21N3O2S/c1-14-6-7-18(25-2)15(11-14)8-10-22-19(24)12-16-13-26-20(23-16)17-5-3-4-9-21-17/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,24)
InChIKeyVUAHBYGDWHIBRI-UHFFFAOYSA-N
XLogP3.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634
5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108770761
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9404366
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 167899738
2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110284963

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16564283) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(C)cc1CCNC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VUAHBYGDWHIBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-6-7-18(25-2)15(11-14)8-10-22-19(24)12-16-13-26-20(23-16)17-5-3-4-9-21-17/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16564283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).