1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H28N2OS — CID 114368301

IUPAC1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCC(OCC)c1nc(CC(C)C)c(CNC)s1
InChIInChI=1S/C15H28N2OS/c1-6-8-13(18-7-2)15-17-12(9-11(3)4)14(19-15)10-16-5/h11,13,16H,6-10H2,1-5H3
InChIKeyHOXWXNUGADWVNV-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.94
Rot. Bonds9

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

1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114368301) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114368301
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCC(OCC)c1nc(CC(C)C)c(CNC)s1
InChIInChI=1S/C15H28N2OS/c1-6-8-13(18-7-2)15-17-12(9-11(3)4)14(19-15)10-16-5/h11,13,16H,6-10H2,1-5H3
InChIKeyHOXWXNUGADWVNV-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369122
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365982
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 116730707
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
N-[[2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366676
1-[2-tert-butyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368318
N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 114368436
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362320
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114368301) is 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCCC(OCC)c1nc(CC(C)C)c(CNC)s1.
What is the InChIKey of 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is HOXWXNUGADWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-6-8-13(18-7-2)15-17-12(9-11(3)4)14(19-15)10-16-5/h11,13,16H,6-10H2,1-5H3.
What are the key properties of 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 284.47 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114368301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).