N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H21N3OS — CID 55112409

IUPACN-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1(C)COCCN1c1ncc(CNC2CC2)s1
InChIInChI=1S/C13H21N3OS/c1-13(2)9-17-6-5-16(13)12-15-8-11(18-12)7-14-10-3-4-10/h8,10,14H,3-7,9H2,1-2H3
InChIKeyCUAVBGGHEBHRRH-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.01
Rot. Bonds4

About N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 55112409) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID55112409
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1(C)COCCN1c1ncc(CNC2CC2)s1
InChIInChI=1S/C13H21N3OS/c1-13(2)9-17-6-5-16(13)12-15-8-11(18-12)7-14-10-3-4-10/h8,10,14H,3-7,9H2,1-2H3
InChIKeyCUAVBGGHEBHRRH-UHFFFAOYSA-N
XLogP2.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-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-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 55112409) is N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1(C)COCCN1c1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is CUAVBGGHEBHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2)9-17-6-5-16(13)12-15-8-11(18-12)7-14-10-3-4-10/h8,10,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 267.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55112409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).