3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine

C12H21N3OS — CID 112643288

IUPAC3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCC(C)(C(N)Cc1cncs1)N1CCOCC1
InChIInChI=1S/C12H21N3OS/c1-12(2,15-3-5-16-6-4-15)11(13)7-10-8-14-9-17-10/h8-9,11H,3-7,13H2,1-2H3
InChIKeyPGWIXLQNRARAKF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.12
Rot. Bonds4

About 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine

3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 112643288) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID112643288
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCC(C)(C(N)Cc1cncs1)N1CCOCC1
InChIInChI=1S/C12H21N3OS/c1-12(2,15-3-5-16-6-4-15)11(13)7-10-8-14-9-17-10/h8-9,11H,3-7,13H2,1-2H3
InChIKeyPGWIXLQNRARAKF-UHFFFAOYSA-N
XLogP1.12
TPSA51.38 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine (CID 112643288) is 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine is CC(C)(C(N)Cc1cncs1)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is PGWIXLQNRARAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,15-3-5-16-6-4-15)11(13)7-10-8-14-9-17-10/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 112643288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).