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

C23H19N3O2S — CID 108748467

IUPAC2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C23H19N3O2S/c1-16-7-2-3-11-21(16)28-14-22(27)25-18-9-6-8-17(13-18)20-15-29-23(26-20)19-10-4-5-12-24-19/h2-13,15H,14H2,1H3,(H,25,27)
InChIKeyZKQCQZGIBCMQTD-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.20
Rot. Bonds6

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

2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 108748467) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID108748467
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C23H19N3O2S/c1-16-7-2-3-11-21(16)28-14-22(27)25-18-9-6-8-17(13-18)20-15-29-23(26-20)19-10-4-5-12-24-19/h2-13,15H,14H2,1H3,(H,25,27)
InChIKeyZKQCQZGIBCMQTD-UHFFFAOYSA-N
XLogP5.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770444
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 108748467) is 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is ZKQCQZGIBCMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-16-7-2-3-11-21(16)28-14-22(27)25-18-9-6-8-17(13-18)20-15-29-23(26-20)19-10-4-5-12-24-19/h2-13,15H,14H2,1H3,(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 108748467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).