2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide

C11H13F3N2O2S — CID 22572804

IUPAC2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)C(=O)CCc1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2S/c1-6(2)8(17)4-3-7-5-19-10(15-7)16-9(18)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyRPXQLXBDADWJQB-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.80
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide

2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 22572804) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide
PubChem CID22572804
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)C(=O)CCc1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2S/c1-6(2)8(17)4-3-7-5-19-10(15-7)16-9(18)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyRPXQLXBDADWJQB-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide (CID 22572804) is 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide is CC(C)C(=O)CCc1csc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RPXQLXBDADWJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-6(2)8(17)4-3-7-5-19-10(15-7)16-9(18)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide?
2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22572804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).