N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine

C13H19F3N2S — CID 106784544

IUPACN-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-8(2)17-6-9-4-3-5-10(9)11-7-18-12(19-11)13(14,15)16/h7-10,17H,3-6H2,1-2H3
InChIKeyACJJTKOBOZPJFG-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.04
Rot. Bonds4

About N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine

N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine (PubChem CID 106784544) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
PubChem CID106784544
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-8(2)17-6-9-4-3-5-10(9)11-7-18-12(19-11)13(14,15)16/h7-10,17H,3-6H2,1-2H3
InChIKeyACJJTKOBOZPJFG-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
CID 106784550
1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
CID 106784571
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048
N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
CID 81033718
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
CID 106784212
N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
CID 81033561
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784073
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
CID 81025607
N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 82827778
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine (CID 106784544) is N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is ACJJTKOBOZPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-8(2)17-6-9-4-3-5-10(9)11-7-18-12(19-11)13(14,15)16/h7-10,17H,3-6H2,1-2H3.
What are the key properties of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine?
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 292.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 106784544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).