1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine

C12H21N3OS — CID 115089637

IUPAC1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(CCN2CCOCC2)n1
InChIInChI=1S/C12H21N3OS/c1-10(13)8-11-9-17-12(14-11)2-3-15-4-6-16-7-5-15/h9-10H,2-8,13H2,1H3
InChIKeyVGHAZTXJLJANOA-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine

1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115089637) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115089637
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(CCN2CCOCC2)n1
InChIInChI=1S/C12H21N3OS/c1-10(13)8-11-9-17-12(14-11)2-3-15-4-6-16-7-5-15/h9-10H,2-8,13H2,1H3
InChIKeyVGHAZTXJLJANOA-UHFFFAOYSA-N
XLogP0.91
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 115089637) is 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine is CC(N)Cc1csc(CCN2CCOCC2)n1.
What is the InChIKey of 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is VGHAZTXJLJANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10(13)8-11-9-17-12(14-11)2-3-15-4-6-16-7-5-15/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 255.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115089637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).