N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine

C11H15F3N2S — CID 123345785

IUPACN-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
SMILESFC(F)(F)c1csc(CNC2CCCCC2)n1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)9-7-17-10(16-9)6-15-8-4-2-1-3-5-8/h7-8,15H,1-6H2
InChIKeyVRTBNCFURFSGLW-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.58
Rot. Bonds3

About N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine

N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine (PubChem CID 123345785) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
PubChem CID123345785
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
SMILESFC(F)(F)c1csc(CNC2CCCCC2)n1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)9-7-17-10(16-9)6-15-8-4-2-1-3-5-8/h7-8,15H,1-6H2
InChIKeyVRTBNCFURFSGLW-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanamine
CID 3908018
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522
4-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)piperidine
CID 62541784
1-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)propan-1-amine
CID 56828512
(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 97353370
2-(4,4-Difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole
CID 57486684
2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
CID 57486722
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-amine
CID 61337418
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544979
1-([4-(Trifluoromethyl)-1,3-thiazol-2-YL]methyl)piperazine
CID 63333385
2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
CID 67452046

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine (CID 123345785) is N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine is FC(F)(F)c1csc(CNC2CCCCC2)n1.
What is the InChIKey of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
The InChIKey is VRTBNCFURFSGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)9-7-17-10(16-9)6-15-8-4-2-1-3-5-8/h7-8,15H,1-6H2.
What are the key properties of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine has a molecular weight of 264.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 123345785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).