N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine

C13H24N2OS — CID 105159007

IUPACN-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1csc(C)n1)CC(C)COC
InChIInChI=1S/C13H24N2OS/c1-5-14-12(6-10(2)8-16-4)7-13-9-17-11(3)15-13/h9-10,12,14H,5-8H2,1-4H3
InChIKeyLFLFZXRZQGHLLX-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.64
Rot. Bonds8

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

N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (PubChem CID 105159007) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
PubChem CID105159007
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1csc(C)n1)CC(C)COC
InChIInChI=1S/C13H24N2OS/c1-5-14-12(6-10(2)8-16-4)7-13-9-17-11(3)15-13/h9-10,12,14H,5-8H2,1-4H3
InChIKeyLFLFZXRZQGHLLX-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 104997067
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114650023
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
1-ethoxy-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 103271203
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (CID 105159007) is N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is CCNC(Cc1csc(C)n1)CC(C)COC.
What is the InChIKey of N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The InChIKey is LFLFZXRZQGHLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-14-12(6-10(2)8-16-4)7-13-9-17-11(3)15-13/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is sourced from PubChem (CID 105159007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).