N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide

C14H22N2O2S — CID 166632772

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2CCOCC2)n1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)11-9-19-13(15-11)16-12(17)8-10-4-6-18-7-5-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyDEUJLEQZCAOOMI-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.20
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide (PubChem CID 166632772) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
PubChem CID166632772
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2CCOCC2)n1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)11-9-19-13(15-11)16-12(17)8-10-4-6-18-7-5-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyDEUJLEQZCAOOMI-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide (CID 166632772) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide is CC(C)(C)c1csc(NC(=O)CC2CCOCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is DEUJLEQZCAOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)11-9-19-13(15-11)16-12(17)8-10-4-6-18-7-5-10/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 166632772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).