(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C12H17F3N2OS — CID 106783739

IUPAC(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(C(N)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C12H17F3N2OS/c1-18-11(5-3-2-4-6-11)9(16)8-7-17-10(19-8)12(13,14)15/h7,9H,2-6,16H2,1H3
InChIKeyPGOYGJKDEDSNJP-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.51
Rot. Bonds3

About (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783739) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783739
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(C(N)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C12H17F3N2OS/c1-18-11(5-3-2-4-6-11)9(16)8-7-17-10(19-8)12(13,14)15/h7,9H,2-6,16H2,1H3
InChIKeyPGOYGJKDEDSNJP-UHFFFAOYSA-N
XLogP3.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783684
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782895
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
N-[(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106830795
2-(azepan-1-yl)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783418
[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786567
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783411
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783424
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783739) is (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is COC1(C(N)c2cnc(C(F)(F)F)s2)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PGOYGJKDEDSNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-18-11(5-3-2-4-6-11)9(16)8-7-17-10(19-8)12(13,14)15/h7,9H,2-6,16H2,1H3.
What are the key properties of (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).