2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

C9H11F3N2OS — CID 106784643

IUPAC2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCCCC(N)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2OS/c1-2-3-5(13)7(15)6-4-14-8(16-6)9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyVYOSHPXDARWPRH-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (PubChem CID 106784643) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
PubChem CID106784643
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCCCC(N)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2OS/c1-2-3-5(13)7(15)6-4-14-8(16-6)9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyVYOSHPXDARWPRH-UHFFFAOYSA-N
XLogP2.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfonyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784634
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
2-ethoxy-3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782649
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784989
2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782562
2-[4-(aminomethyl)triazol-1-yl]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784772
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782652
3-(dimethylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782611
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
4-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784866
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782474

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (CID 106784643) is 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is CCCC(N)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The InChIKey is VYOSHPXDARWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-2-3-5(13)7(15)6-4-14-8(16-6)9(10,11)12/h4-5H,2-3,13H2,1H3.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one has a molecular weight of 252.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is sourced from PubChem (CID 106784643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).