N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C11H15F3N2S — CID 61171215

IUPACN-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2cscn2)C1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)8-2-1-3-9(4-8)15-5-10-6-17-7-16-10/h6-9,15H,1-5H2
InChIKeyBAVWJFHIRVHFNU-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.35
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 61171215) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID61171215
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2cscn2)C1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)8-2-1-3-9(4-8)15-5-10-6-17-7-16-10/h6-9,15H,1-5H2
InChIKeyBAVWJFHIRVHFNU-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 61171215) is N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2cscn2)C1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BAVWJFHIRVHFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)8-2-1-3-9(4-8)15-5-10-6-17-7-16-10/h6-9,15H,1-5H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 61171215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).