1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine

C14H21F3N2S — CID 64760051

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCc1nc(C2(NC)CCCC(C(F)(F)F)C2)sc1C
InChIInChI=1S/C14H21F3N2S/c1-4-11-9(2)20-12(19-11)13(18-3)7-5-6-10(8-13)14(15,16)17/h10,18H,4-8H2,1-3H3
InChIKeyLHBIOIMZYINMOV-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.18
Rot. Bonds3

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64760051) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64760051
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCc1nc(C2(NC)CCCC(C(F)(F)F)C2)sc1C
InChIInChI=1S/C14H21F3N2S/c1-4-11-9(2)20-12(19-11)13(18-3)7-5-6-10(8-13)14(15,16)17/h10,18H,4-8H2,1-3H3
InChIKeyLHBIOIMZYINMOV-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730360
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730632
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 63751447
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63752444
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 63752759
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754917
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755094
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755095
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755098
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755099
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755100

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64760051) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is CCc1nc(C2(NC)CCCC(C(F)(F)F)C2)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LHBIOIMZYINMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-4-11-9(2)20-12(19-11)13(18-3)7-5-6-10(8-13)14(15,16)17/h10,18H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64760051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).