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

C24H21N3OS — CID 134054093

IUPACN-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C24H21N3OS/c1-27(16-18-10-12-20(13-11-18)19-7-3-2-4-8-19)23(28)15-21-17-29-24(26-21)22-9-5-6-14-25-22/h2-14,17H,15-16H2,1H3
InChIKeyRZESEEBNOLBTPT-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.07
Rot. Bonds6

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

N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 134054093) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID134054093
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C24H21N3OS/c1-27(16-18-10-12-20(13-11-18)19-7-3-2-4-8-19)23(28)15-21-17-29-24(26-21)22-9-5-6-14-25-22/h2-14,17H,15-16H2,1H3
InChIKeyRZESEEBNOLBTPT-UHFFFAOYSA-N
XLogP5.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.07
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-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46966380
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054242
N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122143636
N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597836
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 120885555

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 134054093) is N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RZESEEBNOLBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-27(16-18-10-12-20(13-11-18)19-7-3-2-4-8-19)23(28)15-21-17-29-24(26-21)22-9-5-6-14-25-22/h2-14,17H,15-16H2,1H3.
What are the key properties of N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134054093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).