1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H24N2OS — CID 116777834

IUPAC1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(CC)(CC)c1nc(C)c(CNC)s1
InChIInChI=1S/C13H24N2OS/c1-6-13(7-2,16-8-3)12-15-10(4)11(17-12)9-14-5/h14H,6-9H2,1-5H3
InChIKeyWXGCNHBCIYPEJS-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116777834) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116777834
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(CC)(CC)c1nc(C)c(CNC)s1
InChIInChI=1S/C13H24N2OS/c1-6-13(7-2,16-8-3)12-15-10(4)11(17-12)9-14-5/h14H,6-9H2,1-5H3
InChIKeyWXGCNHBCIYPEJS-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116777851
N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 63081879
1-[2-(2-ethoxypropan-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730710
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730788
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199
1-[4-cyclopropyl-2-(2-ethoxybutan-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367080
[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361121
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
2-[2-(3-ethoxypentan-3-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 116779353
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
CID 116782789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116777834) is 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC(CC)(CC)c1nc(C)c(CNC)s1.
What is the InChIKey of 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is WXGCNHBCIYPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-13(7-2,16-8-3)12-15-10(4)11(17-12)9-14-5/h14H,6-9H2,1-5H3.
What are the key properties of 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 256.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116777834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).