N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C20H21N3OS — CID 39081023

IUPACN-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H21N3OS/c1-15(2)23(13-16-8-4-3-5-9-16)19(24)12-17-14-25-20(22-17)18-10-6-7-11-21-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyCNIGTSHBQPQSIM-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.18
Rot. Bonds6

About N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 39081023) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID39081023
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H21N3OS/c1-15(2)23(13-16-8-4-3-5-9-16)19(24)12-17-14-25-20(22-17)18-10-6-7-11-21-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyCNIGTSHBQPQSIM-UHFFFAOYSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[propan-2-yl-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 78878085
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054242
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 120885555
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826623
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46966380

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 39081023) is N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)N(Cc1ccccc1)C(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CNIGTSHBQPQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-15(2)23(13-16-8-4-3-5-9-16)19(24)12-17-14-25-20(22-17)18-10-6-7-11-21-18/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 351.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 39081023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).