2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C11H15F3N4OS — CID 79797133

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N4OS/c1-10(15,11(12,13)14)8(19)17-3-5-18(6-4-17)9-16-2-7-20-9/h2,7H,3-6,15H2,1H3
InChIKeyWOCOWXIEZVNCJN-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 79797133) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID79797133
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N4OS/c1-10(15,11(12,13)14)8(19)17-3-5-18(6-4-17)9-16-2-7-20-9/h2,7H,3-6,15H2,1H3
InChIKeyWOCOWXIEZVNCJN-UHFFFAOYSA-N
XLogP1.07
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 79797133) is 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is CC(N)(C(=O)N1CCN(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is WOCOWXIEZVNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-10(15,11(12,13)14)8(19)17-3-5-18(6-4-17)9-16-2-7-20-9/h2,7H,3-6,15H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 308.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 79797133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).