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

C12H21N3OS — CID 62752264

IUPACN-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCOC(C)C2)s1
InChIInChI=1S/C12H21N3OS/c1-9(2)13-6-11-7-14-12(17-11)15-4-5-16-10(3)8-15/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyHHRDJSDRFNMJKB-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.87
Rot. Bonds4

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

N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62752264) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62752264
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCOC(C)C2)s1
InChIInChI=1S/C12H21N3OS/c1-9(2)13-6-11-7-14-12(17-11)15-4-5-16-10(3)8-15/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyHHRDJSDRFNMJKB-UHFFFAOYSA-N
XLogP1.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-methylmorpholin-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62752264) is N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCOC(C)C2)s1.
What is the InChIKey of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is HHRDJSDRFNMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)13-6-11-7-14-12(17-11)15-4-5-16-10(3)8-15/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).