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

C12H18F3N3OS — CID 115589028

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nc(C)c(C(C)NC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C12H18F3N3OS/c1-6(10-7(2)18-9(4)20-10)17-8(3)11(19)16-5-12(13,14)15/h6,8,17H,5H2,1-4H3,(H,16,19)
InChIKeyIOIVAGUMLDKLBI-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.48
Rot. Bonds5

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

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115589028) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115589028
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nc(C)c(C(C)NC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C12H18F3N3OS/c1-6(10-7(2)18-9(4)20-10)17-8(3)11(19)16-5-12(13,14)15/h6,8,17H,5H2,1-4H3,(H,16,19)
InChIKeyIOIVAGUMLDKLBI-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.48
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)propanamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115589028) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1nc(C)c(C(C)NC(C)C(=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)propanamide?
The InChIKey is IOIVAGUMLDKLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-6(10-7(2)18-9(4)20-10)17-8(3)11(19)16-5-12(13,14)15/h6,8,17H,5H2,1-4H3,(H,16,19).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 309.36 g/mol, XLogP of 2.48, 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)propanamide is sourced from PubChem (CID 115589028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).