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

C20H21N3OS — CID 134054242

IUPACN-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(C(C)N(C)C(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H21N3OS/c1-14-7-9-16(10-8-14)15(2)23(3)19(24)12-17-13-25-20(22-17)18-6-4-5-11-21-18/h4-11,13,15H,12H2,1-3H3
InChIKeyUJSHVAOVWMEFPF-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.28
Rot. Bonds5

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

N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 134054242) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID134054242
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(C(C)N(C)C(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H21N3OS/c1-14-7-9-16(10-8-14)15(2)23(3)19(24)12-17-13-25-20(22-17)18-6-4-5-11-21-18/h4-11,13,15H,12H2,1-3H3
InChIKeyUJSHVAOVWMEFPF-UHFFFAOYSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39081023
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134017603
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
methyl 2-[propan-2-yl-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 78878085
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51267222
[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 166201420
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122143636
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 134054242) is N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1ccc(C(C)N(C)C(=O)Cc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UJSHVAOVWMEFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-7-9-16(10-8-14)15(2)23(3)19(24)12-17-13-25-20(22-17)18-6-4-5-11-21-18/h4-11,13,15H,12H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 351.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134054242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).