N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H17F3N2S — CID 57177793

IUPACN-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)C1(CNC2=NCCS2)CCCCC1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)10(4-2-1-3-5-10)8-16-9-15-6-7-17-9/h1-8H2,(H,15,16)
InChIKeyHQONRSZKTQREHB-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.19
Rot. Bonds2

About N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 57177793) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID57177793
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)C1(CNC2=NCCS2)CCCCC1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)10(4-2-1-3-5-10)8-16-9-15-6-7-17-9/h1-8H2,(H,15,16)
InChIKeyHQONRSZKTQREHB-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 57177793) is N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)C1(CNC2=NCCS2)CCCCC1.
What is the InChIKey of N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HQONRSZKTQREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c12-11(13,14)10(4-2-1-3-5-10)8-16-9-15-6-7-17-9/h1-8H2,(H,15,16).
What are the key properties of N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 57177793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).