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

C24H21N3OS — CID 100597836

IUPACN-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H21N3OS/c1-27(16-19-5-3-2-4-6-19)23(28)15-18-7-9-20(10-8-18)22-17-29-24(26-22)21-11-13-25-14-12-21/h2-14,17H,15-16H2,1H3
InChIKeyXZFVWFVAQMRYCD-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.07
Rot. Bonds6

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

N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100597836) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100597836
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H21N3OS/c1-27(16-19-5-3-2-4-6-19)23(28)15-18-7-9-20(10-8-18)22-17-29-24(26-22)21-11-13-25-14-12-21/h2-14,17H,15-16H2,1H3
InChIKeyXZFVWFVAQMRYCD-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-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100598169
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
1-(4-ethylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]ethanone
CID 110300182
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321
N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100597836) is N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is CN(Cc1ccccc1)C(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is XZFVWFVAQMRYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-27(16-19-5-3-2-4-6-19)23(28)15-18-7-9-20(10-8-18)22-17-29-24(26-22)21-11-13-25-14-12-21/h2-14,17H,15-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]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-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).