[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

C13H23N3OS — CID 55117413

IUPAC[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCOC(CC)C2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-3-5-11-12(8-14)18-13(15-11)16-6-7-17-10(4-2)9-16/h10H,3-9,14H2,1-2H3
InChIKeyXTAPUMVLHOILBQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.17
Rot. Bonds5

About [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 55117413) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID55117413
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCOC(CC)C2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-3-5-11-12(8-14)18-13(15-11)16-6-7-17-10(4-2)9-16/h10H,3-9,14H2,1-2H3
InChIKeyXTAPUMVLHOILBQ-UHFFFAOYSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 55117413) is [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2CCOC(CC)C2)sc1CN.
What is the InChIKey of [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XTAPUMVLHOILBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-11-12(8-14)18-13(15-11)16-6-7-17-10(4-2)9-16/h10H,3-9,14H2,1-2H3.
What are the key properties of [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55117413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).