(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine

C12H20N2OS — CID 70748797

IUPAC(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCCc1nc(CN2CCOC[C@@H]2CC)cs1
InChIInChI=1S/C12H20N2OS/c1-3-11-8-15-6-5-14(11)7-10-9-16-12(4-2)13-10/h9,11H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyXBXVMINAUPJDNA-NSHDSACASA-N
MW240.37 g/mol
LogP2.32
Rot. Bonds4

About (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine

(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 70748797) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID70748797
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCCc1nc(CN2CCOC[C@@H]2CC)cs1
InChIInChI=1S/C12H20N2OS/c1-3-11-8-15-6-5-14(11)7-10-9-16-12(4-2)13-10/h9,11H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyXBXVMINAUPJDNA-NSHDSACASA-N
XLogP2.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine (CID 70748797) is (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine is CCc1nc(CN2CCOC[C@@H]2CC)cs1.
What is the InChIKey of (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is XBXVMINAUPJDNA-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-11-8-15-6-5-14(11)7-10-9-16-12(4-2)13-10/h9,11H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine?
(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 240.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 70748797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).