2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide

C11H15F3N2OS — CID 71993342

IUPAC2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCCC(C)C(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2OS/c1-3-7(2)10(17)15-5-4-9-16-8(6-18-9)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyOJDOILLEJVKESQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide

2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide (PubChem CID 71993342) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
PubChem CID71993342
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCCC(C)C(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2OS/c1-3-7(2)10(17)15-5-4-9-16-8(6-18-9)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyOJDOILLEJVKESQ-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide (CID 71993342) is 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide is CCC(C)C(=O)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The InChIKey is OJDOILLEJVKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-3-7(2)10(17)15-5-4-9-16-8(6-18-9)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide has a molecular weight of 280.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 71993342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).