N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H16F3N3OS — CID 78924296

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1nc(C)c(C(C)NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-6-10(19-8(3)16-6)7(2)17-9(18)4-15-5-11(12,13)14/h7,15H,4-5H2,1-3H3,(H,17,18)
InChIKeyRYQHAIHPIXKNMF-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924296) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924296
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1nc(C)c(C(C)NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-6-10(19-8(3)16-6)7(2)17-9(18)4-15-5-11(12,13)14/h7,15H,4-5H2,1-3H3,(H,17,18)
InChIKeyRYQHAIHPIXKNMF-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924296) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1nc(C)c(C(C)NC(=O)CNCC(F)(F)F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RYQHAIHPIXKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-6-10(19-8(3)16-6)7(2)17-9(18)4-15-5-11(12,13)14/h7,15H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).