N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H21F3N2OS — CID 64755106

IUPACN-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCNC1(c2nc(C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2OS/c1-10-9-21-12(19-10)13(18-7-8-20-2)5-3-11(4-6-13)14(15,16)17/h9,11,18H,3-8H2,1-2H3
InChIKeyLXXUVBUJNYICHO-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.64
Rot. Bonds5

About N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755106) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755106
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC NameN-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCNC1(c2nc(C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2OS/c1-10-9-21-12(19-10)13(18-7-8-20-2)5-3-11(4-6-13)14(15,16)17/h9,11,18H,3-8H2,1-2H3
InChIKeyLXXUVBUJNYICHO-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.64
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-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755106) is N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is COCCNC1(c2nc(C)cs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LXXUVBUJNYICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-10-9-21-12(19-10)13(18-7-8-20-2)5-3-11(4-6-13)14(15,16)17/h9,11,18H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 322.40 g/mol, XLogP of 3.64, 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-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).