N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C12H17F3N2OS — CID 63001892

IUPACN-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2nccs2)C1
InChIInChI=1S/C12H17F3N2OS/c13-12(14,15)8-18-10-3-1-2-9(6-10)17-7-11-16-4-5-19-11/h4-5,9-10,17H,1-3,6-8H2
InChIKeyIZVBLVLGHAIATD-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.12
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 63001892) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID63001892
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2nccs2)C1
InChIInChI=1S/C12H17F3N2OS/c13-12(14,15)8-18-10-3-1-2-9(6-10)17-7-11-16-4-5-19-11/h4-5,9-10,17H,1-3,6-8H2
InChIKeyIZVBLVLGHAIATD-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 63001892) is N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2nccs2)C1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is IZVBLVLGHAIATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c13-12(14,15)8-18-10-3-1-2-9(6-10)17-7-11-16-4-5-19-11/h4-5,9-10,17H,1-3,6-8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 294.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 63001892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).