2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C18H23N3O2S — CID 126833253

IUPAC2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCCC1CC(CC(=O)N(C)c2nc(-c3ccccn3)cs2)CCO1
InChIInChI=1S/C18H23N3O2S/c1-3-14-10-13(7-9-23-14)11-17(22)21(2)18-20-16(12-24-18)15-6-4-5-8-19-15/h4-6,8,12-14H,3,7,9-11H2,1-2H3
InChIKeyHYPQFOSNLYPUTA-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.76
Rot. Bonds5

About 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 126833253) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID126833253
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCCC1CC(CC(=O)N(C)c2nc(-c3ccccn3)cs2)CCO1
InChIInChI=1S/C18H23N3O2S/c1-3-14-10-13(7-9-23-14)11-17(22)21(2)18-20-16(12-24-18)15-6-4-5-8-19-15/h4-6,8,12-14H,3,7,9-11H2,1-2H3
InChIKeyHYPQFOSNLYPUTA-UHFFFAOYSA-N
XLogP3.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 126833253) is 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is CCC1CC(CC(=O)N(C)c2nc(-c3ccccn3)cs2)CCO1.
What is the InChIKey of 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HYPQFOSNLYPUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-14-10-13(7-9-23-14)11-17(22)21(2)18-20-16(12-24-18)15-6-4-5-8-19-15/h4-6,8,12-14H,3,7,9-11H2,1-2H3.
What are the key properties of 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 126833253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).