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

C12H19N3OS — CID 113472487

IUPACN-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1c1cscn1
InChIInChI=1S/C12H19N3OS/c1-15-4-5-16-11(6-13-9-2-3-9)12(15)10-7-17-8-14-10/h7-9,11-13H,2-6H2,1H3
InChIKeyHXKQABHHFHOBDL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.27
Rot. Bonds4

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

N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine (PubChem CID 113472487) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
PubChem CID113472487
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1c1cscn1
InChIInChI=1S/C12H19N3OS/c1-15-4-5-16-11(6-13-9-2-3-9)12(15)10-7-17-8-14-10/h7-9,11-13H,2-6H2,1H3
InChIKeyHXKQABHHFHOBDL-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine (CID 113472487) is N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine is CN1CCOC(CNC2CC2)C1c1cscn1.
What is the InChIKey of N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine?
The InChIKey is HXKQABHHFHOBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15-4-5-16-11(6-13-9-2-3-9)12(15)10-7-17-8-14-10/h7-9,11-13H,2-6H2,1H3.
What are the key properties of N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine?
N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine has a molecular weight of 253.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113472487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).