N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C13H19F3N2OS — CID 64758236

IUPACN-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCNC1(c2nccs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2OS/c1-19-7-5-18-12(11-17-6-8-20-11)4-2-3-10(9-12)13(14,15)16/h6,8,10,18H,2-5,7,9H2,1H3
InChIKeyTWLZFPBYFAHEEA-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.33
Rot. Bonds5

About N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758236) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758236
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCNC1(c2nccs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2OS/c1-19-7-5-18-12(11-17-6-8-20-11)4-2-3-10(9-12)13(14,15)16/h6,8,10,18H,2-5,7,9H2,1H3
InChIKeyTWLZFPBYFAHEEA-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758236) is N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is COCCNC1(c2nccs2)CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is TWLZFPBYFAHEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-19-7-5-18-12(11-17-6-8-20-11)4-2-3-10(9-12)13(14,15)16/h6,8,10,18H,2-5,7,9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).