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

C20H21N3O2S — CID 134054605

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C20H21N3O2S/c1-14(17-8-4-5-9-18(17)25-3)23(2)19(24)11-16-13-26-20(22-16)15-7-6-10-21-12-15/h4-10,12-14H,11H2,1-3H3
InChIKeyWBIQMWDLYKTZCN-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.98
Rot. Bonds6

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

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 134054605) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID134054605
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C20H21N3O2S/c1-14(17-8-4-5-9-18(17)25-3)23(2)19(24)11-16-13-26-20(22-16)15-7-6-10-21-12-15/h4-10,12-14H,11H2,1-3H3
InChIKeyWBIQMWDLYKTZCN-UHFFFAOYSA-N
XLogP3.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119207601
2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 119955179
N-[1-(2,5-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 86926512
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920515

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 134054605) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is COc1ccccc1C(C)N(C)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WBIQMWDLYKTZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(17-8-4-5-9-18(17)25-3)23(2)19(24)11-16-13-26-20(22-16)15-7-6-10-21-12-15/h4-10,12-14H,11H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134054605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).