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

C11H16F3N3OS — CID 61492137

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(C)c(C(C)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-6(10-7(2)17-8(3)19-10)15-4-9(18)16-5-11(12,13)14/h6,15H,4-5H2,1-3H3,(H,16,18)
InChIKeyYDWMBNFYJURIFK-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.09
Rot. Bonds5

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

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492137) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492137
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(C)c(C(C)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-6(10-7(2)17-8(3)19-10)15-4-9(18)16-5-11(12,13)14/h6,15H,4-5H2,1-3H3,(H,16,18)
InChIKeyYDWMBNFYJURIFK-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 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492137) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(C)c(C(C)NCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YDWMBNFYJURIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-6(10-7(2)17-8(3)19-10)15-4-9(18)16-5-11(12,13)14/h6,15H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)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 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).