2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C18H17N3O2S — CID 8924146

IUPAC2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-7-13(2)9-14(8-12)23-10-17(22)21-18-20-16(11-24-18)15-5-3-4-6-19-15/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeySOMACKPXXVOMMO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.84
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 8924146) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID8924146
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-7-13(2)9-14(8-12)23-10-17(22)21-18-20-16(11-24-18)15-5-3-4-6-19-15/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeySOMACKPXXVOMMO-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 8924146) is 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SOMACKPXXVOMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-7-13(2)9-14(8-12)23-10-17(22)21-18-20-16(11-24-18)15-5-3-4-6-19-15/h3-9,11H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8924146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).