2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N3OS — CID 55119883

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H16F3N3OS/c1-2-3-4-17(7-11(12,13)14)9(18)5-8-6-19-10(15)16-8/h6H,2-5,7H2,1H3,(H2,15,16)
InChIKeyGLZTZSUMRZDGDR-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.46
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55119883) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55119883
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H16F3N3OS/c1-2-3-4-17(7-11(12,13)14)9(18)5-8-6-19-10(15)16-8/h6H,2-5,7H2,1H3,(H2,15,16)
InChIKeyGLZTZSUMRZDGDR-UHFFFAOYSA-N
XLogP2.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55119883) is 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GLZTZSUMRZDGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-2-3-4-17(7-11(12,13)14)9(18)5-8-6-19-10(15)16-8/h6H,2-5,7H2,1H3,(H2,15,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55119883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).