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

C10H15F3N2S — CID 106784139

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine
SMILESCCCC(N)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-2-3-7(14)4-5-8-6-15-9(16-8)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyBITHNJSPZLYKKR-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.22
Rot. Bonds5

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine (PubChem CID 106784139) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine
PubChem CID106784139
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine
SMILESCCCC(N)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-2-3-7(14)4-5-8-6-15-9(16-8)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyBITHNJSPZLYKKR-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(1-(1,3-thiazol-5-yl)propan-2-yl)amine
CID 112642809
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(7,7,7-Trifluoroheptyl)-1,3-thiazole
CID 117719633
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
(R)-1-(2-(Trifluoromethyl)thiazol-5-yl)ethan-1-amine
CID 124585017
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-(4-Fluorobutyl)-2-methyl-1,3-thiazole
CID 141873778
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine (CID 106784139) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine is CCCC(N)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine?
The InChIKey is BITHNJSPZLYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-2-3-7(14)4-5-8-6-15-9(16-8)10(11,12)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine has a molecular weight of 252.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine is sourced from PubChem (CID 106784139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).