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

C11H19N3S2 — CID 64545146

IUPACN-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(C)c1csc(N2CCSCC2)n1
InChIInChI=1S/C11H19N3S2/c1-3-12-9(2)10-8-16-11(13-10)14-4-6-15-7-5-14/h8-9,12H,3-7H2,1-2H3
InChIKeyXCNPAWBXGUJMKA-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.37
Rot. Bonds4

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

N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 64545146) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID64545146
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(C)c1csc(N2CCSCC2)n1
InChIInChI=1S/C11H19N3S2/c1-3-12-9(2)10-8-16-11(13-10)14-4-6-15-7-5-14/h8-9,12H,3-7H2,1-2H3
InChIKeyXCNPAWBXGUJMKA-UHFFFAOYSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine (CID 64545146) is N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine is CCNC(C)c1csc(N2CCSCC2)n1.
What is the InChIKey of N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is XCNPAWBXGUJMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-3-12-9(2)10-8-16-11(13-10)14-4-6-15-7-5-14/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine?
N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 257.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 64545146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).