[1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C12H15F3N2OS — CID 106782564

IUPAC[1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCN(C)C1(C(=O)c2cnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C12H15F3N2OS/c1-17(2)11(5-3-4-6-11)9(18)8-7-16-10(19-8)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyMISPKMRJUGQZMU-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.22
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

[1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782564) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782564
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name[1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCN(C)C1(C(=O)c2cnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C12H15F3N2OS/c1-17(2)11(5-3-4-6-11)9(18)8-7-16-10(19-8)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyMISPKMRJUGQZMU-UHFFFAOYSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000
2-Cyclobutyl-3-oxo-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanenitrile
CID 169169382
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819
3-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
Cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782437
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782438
2,2-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782441
Cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106782453
(4-Methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782461

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782564) is [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CN(C)C1(C(=O)c2cnc(C(F)(F)F)s2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is MISPKMRJUGQZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-17(2)11(5-3-4-6-11)9(18)8-7-16-10(19-8)12(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
[1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 292.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).