N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C12H19N3OS — CID 79088243

IUPACN-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCN1CCOC(c2nc(CNC3CC3)cs2)C1
InChIInChI=1S/C12H19N3OS/c1-15-4-5-16-11(7-15)12-14-10(8-17-12)6-13-9-2-3-9/h8-9,11,13H,2-7H2,1H3
InChIKeyOYAIHZAVVDLPHS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.40
Rot. Bonds4

About N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 79088243) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID79088243
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCN1CCOC(c2nc(CNC3CC3)cs2)C1
InChIInChI=1S/C12H19N3OS/c1-15-4-5-16-11(7-15)12-14-10(8-17-12)6-13-9-2-3-9/h8-9,11,13H,2-7H2,1H3
InChIKeyOYAIHZAVVDLPHS-UHFFFAOYSA-N
XLogP1.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine 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-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 79088243) is N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CN1CCOC(c2nc(CNC3CC3)cs2)C1.
What is the InChIKey of N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OYAIHZAVVDLPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15-4-5-16-11(7-15)12-14-10(8-17-12)6-13-9-2-3-9/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 253.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79088243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).