1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine

C9H15N3S2 — CID 62750156

IUPAC1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1cnc(N2CCSCC2)s1
InChIInChI=1S/C9H15N3S2/c1-7(10)8-6-11-9(14-8)12-2-4-13-5-3-12/h6-7H,2-5,10H2,1H3
InChIKeyFCKSWYLXDYUTPT-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.72
Rot. Bonds2

About 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine

1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 62750156) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID62750156
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1cnc(N2CCSCC2)s1
InChIInChI=1S/C9H15N3S2/c1-7(10)8-6-11-9(14-8)12-2-4-13-5-3-12/h6-7H,2-5,10H2,1H3
InChIKeyFCKSWYLXDYUTPT-UHFFFAOYSA-N
XLogP1.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine (CID 62750156) is 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine is CC(N)c1cnc(N2CCSCC2)s1.
What is the InChIKey of 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FCKSWYLXDYUTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-7(10)8-6-11-9(14-8)12-2-4-13-5-3-12/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine?
1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 229.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 62750156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).