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

C20H21N3O3S — CID 32735530

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C20H21N3O3S/c1-25-17-7-6-14(11-18(17)26-2)8-10-22-19(24)12-15-13-27-20(23-15)16-5-3-4-9-21-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,24)
InChIKeyVSBMDIIKXSZPRS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.12
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 32735530) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID32735530
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C20H21N3O3S/c1-25-17-7-6-14(11-18(17)26-2)8-10-22-19(24)12-15-13-27-20(23-15)16-5-3-4-9-21-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,24)
InChIKeyVSBMDIIKXSZPRS-UHFFFAOYSA-N
XLogP3.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846690
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16564283
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9404366
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110284963
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 32735530) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(CCNC(=O)Cc2csc(-c3ccccn3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VSBMDIIKXSZPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-17-7-6-14(11-18(17)26-2)8-10-22-19(24)12-15-13-27-20(23-15)16-5-3-4-9-21-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 32735530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).