N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine

C15H28N2OS — CID 102929510

IUPACN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCCOC(CC)(CC)c1nc(CNC(C)CC)cs1
InChIInChI=1S/C15H28N2OS/c1-6-12(5)16-10-13-11-19-14(17-13)15(7-2,8-3)18-9-4/h11-12,16H,6-10H2,1-5H3
InChIKeyLXELVBQBJDDDHR-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.08
Rot. Bonds9

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

N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine (PubChem CID 102929510) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
PubChem CID102929510
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCCOC(CC)(CC)c1nc(CNC(C)CC)cs1
InChIInChI=1S/C15H28N2OS/c1-6-12(5)16-10-13-11-19-14(17-13)15(7-2,8-3)18-9-4/h11-12,16H,6-10H2,1-5H3
InChIKeyLXELVBQBJDDDHR-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-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

N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
2-[4-[(butan-2-ylamino)methyl]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097439
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
CID 115715580
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639877
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 82515489
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine (CID 102929510) is N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine is CCOC(CC)(CC)c1nc(CNC(C)CC)cs1.
What is the InChIKey of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The InChIKey is LXELVBQBJDDDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-6-12(5)16-10-13-11-19-14(17-13)15(7-2,8-3)18-9-4/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine has a molecular weight of 284.47 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 102929510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).