3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine

C10H13F3N2S — CID 106784195

IUPAC3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine
SMILESCC1(c2cnc(C(F)(F)F)s2)CCC(N)C1
InChIInChI=1S/C10H13F3N2S/c1-9(3-2-6(14)4-9)7-5-15-8(16-7)10(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeyFBWBMPIQXXDJJJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.93
Rot. Bonds1

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

3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine (PubChem CID 106784195) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine
PubChem CID106784195
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine
SMILESCC1(c2cnc(C(F)(F)F)s2)CCC(N)C1
InChIInChI=1S/C10H13F3N2S/c1-9(3-2-6(14)4-9)7-5-15-8(16-7)10(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeyFBWBMPIQXXDJJJ-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006175
2-[(2-Methyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006225
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-Tert-butyl-2-[2,5-dimethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-2-yl]-1,3-thiazole
CID 132092834
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
2-Methyl-5-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole
CID 176285105
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 84772385

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine (CID 106784195) is 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine is CC1(c2cnc(C(F)(F)F)s2)CCC(N)C1.
What is the InChIKey of 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine?
The InChIKey is FBWBMPIQXXDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-9(3-2-6(14)4-9)7-5-15-8(16-7)10(11,12)13/h5-6H,2-4,14H2,1H3.
What are the key properties of 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine?
3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine has a molecular weight of 250.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 106784195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).