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

C17H32N2OS — CID 114369122

IUPACN-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCC(OCC)c1nc(CC(C)C)c(CNC(C)C)s1
InChIInChI=1S/C17H32N2OS/c1-7-9-15(20-8-2)17-19-14(10-12(3)4)16(21-17)11-18-13(5)6/h12-13,15,18H,7-11H2,1-6H3
InChIKeyYDEODEHJWNSLTA-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.72
Rot. Bonds10

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

N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114369122) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114369122
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC NameN-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCC(OCC)c1nc(CC(C)C)c(CNC(C)C)s1
InChIInChI=1S/C17H32N2OS/c1-7-9-15(20-8-2)17-19-14(10-12(3)4)16(21-17)11-18-13(5)6/h12-13,15,18H,7-11H2,1-6H3
InChIKeyYDEODEHJWNSLTA-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
[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
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841630
[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363929
N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369093
N-[[2-butan-2-yl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368874
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114369122) is N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCC(OCC)c1nc(CC(C)C)c(CNC(C)C)s1.
What is the InChIKey of N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is YDEODEHJWNSLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-7-9-15(20-8-2)17-19-14(10-12(3)4)16(21-17)11-18-13(5)6/h12-13,15,18H,7-11H2,1-6H3.
What are the key properties of N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 312.52 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114369122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).