N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H26N2O2S — CID 114366222

IUPACN-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OC)CCCCC2)nc1COC
InChIInChI=1S/C15H26N2O2S/c1-4-16-10-13-12(11-18-2)17-14(20-13)15(19-3)8-6-5-7-9-15/h16H,4-11H2,1-3H3
InChIKeyJIESAKZAXJFDFY-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.20
Rot. Bonds7

About N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366222) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366222
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OC)CCCCC2)nc1COC
InChIInChI=1S/C15H26N2O2S/c1-4-16-10-13-12(11-18-2)17-14(20-13)15(19-3)8-6-5-7-9-15/h16H,4-11H2,1-3H3
InChIKeyJIESAKZAXJFDFY-UHFFFAOYSA-N
XLogP3.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366160
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366119
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078
N-[[4-ethyl-2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730759
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510370
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366222) is N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2(OC)CCCCC2)nc1COC.
What is the InChIKey of N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JIESAKZAXJFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-16-10-13-12(11-18-2)17-14(20-13)15(19-3)8-6-5-7-9-15/h16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 298.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).