[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C13H19F3N2OS — CID 116778134

IUPAC[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C(F)(F)F)c(CN)s2)CCCC(C)C1
InChIInChI=1S/C13H19F3N2OS/c1-8-4-3-5-12(6-8,19-2)11-18-10(13(14,15)16)9(7-17)20-11/h8H,3-7,17H2,1-2H3
InChIKeyVHHHCUGCIFBAJP-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.67
Rot. Bonds3

About [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 116778134) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID116778134
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C(F)(F)F)c(CN)s2)CCCC(C)C1
InChIInChI=1S/C13H19F3N2OS/c1-8-4-3-5-12(6-8,19-2)11-18-10(13(14,15)16)9(7-17)20-11/h8H,3-7,17H2,1-2H3
InChIKeyVHHHCUGCIFBAJP-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazol-4-amine
CID 116782598
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
CID 114361948
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-amine
CID 116782578
2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 116774139
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205933
N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116778150
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 116774601

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 116778134) is [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is COC1(c2nc(C(F)(F)F)c(CN)s2)CCCC(C)C1.
What is the InChIKey of [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VHHHCUGCIFBAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-8-4-3-5-12(6-8,19-2)11-18-10(13(14,15)16)9(7-17)20-11/h8H,3-7,17H2,1-2H3.
What are the key properties of [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 308.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).