N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H14F3N3OS — CID 78997367

IUPACN-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(NC(=O)CNCC(F)(F)F)c1nccs1
InChIInChI=1S/C10H14F3N3OS/c1-2-7(9-15-3-4-18-9)16-8(17)5-14-6-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3,(H,16,17)
InChIKeyQRGFMTZMGRNNMY-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78997367) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78997367
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(NC(=O)CNCC(F)(F)F)c1nccs1
InChIInChI=1S/C10H14F3N3OS/c1-2-7(9-15-3-4-18-9)16-8(17)5-14-6-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3,(H,16,17)
InChIKeyQRGFMTZMGRNNMY-UHFFFAOYSA-N
XLogP1.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78997367) is N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCC(NC(=O)CNCC(F)(F)F)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QRGFMTZMGRNNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-7(9-15-3-4-18-9)16-8(17)5-14-6-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3,(H,16,17).
What are the key properties of N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78997367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).