1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one

C10H13F3N2OS — CID 116585817

IUPAC1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one
SMILESCC(N)c1nc(C(=O)CCCC(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2OS/c1-6(14)9-15-7(5-17-9)8(16)3-2-4-10(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeyOQROVDORUAXDEJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one

1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one (PubChem CID 116585817) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one
PubChem CID116585817
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one
SMILESCC(N)c1nc(C(=O)CCCC(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2OS/c1-6(14)9-15-7(5-17-9)8(16)3-2-4-10(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeyOQROVDORUAXDEJ-UHFFFAOYSA-N
XLogP3.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]butan-1-one
CID 70665471
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 105106853
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
CID 105123358
2-Amino-4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butan-1-one
CID 112485141
1-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone
CID 114225576
1-[2-(1-Aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclohexyl)ethanone
CID 114225577
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202050
4,4-Difluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202054
1-[2-(Aminomethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one
CID 116585250
1-[2-(Aminomethyl)-1,3-thiazol-4-yl]-4,4,4-trifluorobutan-1-one
CID 116585303
1-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one
CID 116585538
1-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-4,4,4-trifluorobutan-1-one
CID 116585589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one (CID 116585817) is 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one is CC(N)c1nc(C(=O)CCCC(F)(F)F)cs1.
What is the InChIKey of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one?
The InChIKey is OQROVDORUAXDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-6(14)9-15-7(5-17-9)8(16)3-2-4-10(11,12)13/h5-6H,2-4,14H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one?
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one has a molecular weight of 266.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 116585817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).