(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide

C14H23N3O2S — CID 95968907

IUPAC(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCOC[C@H]2CC)s1
InChIInChI=1S/C14H23N3O2S/c1-3-11-10-19-8-7-17(11)14(18)15-6-5-13-16-9-12(4-2)20-13/h9,11H,3-8,10H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyRNVFBEHTJXDTRL-LLVKDONJSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds5

About (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide

(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide (PubChem CID 95968907) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
PubChem CID95968907
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCOC[C@H]2CC)s1
InChIInChI=1S/C14H23N3O2S/c1-3-11-10-19-8-7-17(11)14(18)15-6-5-13-16-9-12(4-2)20-13/h9,11H,3-8,10H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyRNVFBEHTJXDTRL-LLVKDONJSA-N
XLogP2.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide (CID 95968907) is (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide is CCc1cnc(CCNC(=O)N2CCOC[C@H]2CC)s1.
What is the InChIKey of (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is RNVFBEHTJXDTRL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-11-10-19-8-7-17(11)14(18)15-6-5-13-16-9-12(4-2)20-13/h9,11H,3-8,10H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 95968907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).