1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine

C13H23N3OS — CID 82430826

IUPAC1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCN2CCOCC2)sc1C(C)N
InChIInChI=1S/C13H23N3OS/c1-3-11-13(10(2)14)18-12(15-11)4-5-16-6-8-17-9-7-16/h10H,3-9,14H2,1-2H3
InChIKeyOJBGTCQJDWGGOO-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.60
Rot. Bonds5

About 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82430826) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82430826
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCN2CCOCC2)sc1C(C)N
InChIInChI=1S/C13H23N3OS/c1-3-11-13(10(2)14)18-12(15-11)4-5-16-6-8-17-9-7-16/h10H,3-9,14H2,1-2H3
InChIKeyOJBGTCQJDWGGOO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine (CID 82430826) is 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine is CCc1nc(CCN2CCOCC2)sc1C(C)N.
What is the InChIKey of 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OJBGTCQJDWGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-11-13(10(2)14)18-12(15-11)4-5-16-6-8-17-9-7-16/h10H,3-9,14H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).