N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine

C12H22N2OS — CID 103028591

IUPACN-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nccs1)CC(C)(C)OC
InChIInChI=1S/C12H22N2OS/c1-5-13-10(9-12(2,3)15-4)8-11-14-6-7-16-11/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyZILIKUUIXIPCDP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine

N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 103028591) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID103028591
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nccs1)CC(C)(C)OC
InChIInChI=1S/C12H22N2OS/c1-5-13-10(9-12(2,3)15-4)8-11-14-6-7-16-11/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyZILIKUUIXIPCDP-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 103028591) is N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine is CCNC(Cc1nccs1)CC(C)(C)OC.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is ZILIKUUIXIPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-13-10(9-12(2,3)15-4)8-11-14-6-7-16-11/h6-7,10,13H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 103028591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).