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

C13H24N2OS — CID 116774720

IUPACN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C(CC)(CC)OCC)n1
InChIInChI=1S/C13H24N2OS/c1-5-13(6-2,16-8-4)12-15-11(10-17-12)9-14-7-3/h10,14H,5-9H2,1-4H3
InChIKeyCPPXVMMKLRWBCL-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.30
Rot. Bonds8

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

N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116774720) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116774720
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C(CC)(CC)OCC)n1
InChIInChI=1S/C13H24N2OS/c1-5-13(6-2,16-8-4)12-15-11(10-17-12)9-14-7-3/h10,14H,5-9H2,1-4H3
InChIKeyCPPXVMMKLRWBCL-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 102929510
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
CID 102929482
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 116774720) is N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C(CC)(CC)OCC)n1.
What is the InChIKey of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is CPPXVMMKLRWBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-13(6-2,16-8-4)12-15-11(10-17-12)9-14-7-3/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 256.41 g/mol, XLogP of 3.30, 8 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]ethanamine is sourced from PubChem (CID 116774720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).