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

C13H21N3O2S — CID 71867674

IUPAC3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCOCC2CC)s1
InChIInChI=1S/C13H21N3O2S/c1-3-10-9-18-6-5-16(10)13(17)15-8-12-14-7-11(4-2)19-12/h7,10H,3-6,8-9H2,1-2H3,(H,15,17)
InChIKeyIJOIYYWKWDYCTI-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.03
Rot. Bonds4

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

3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 71867674) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
PubChem CID71867674
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCOCC2CC)s1
InChIInChI=1S/C13H21N3O2S/c1-3-10-9-18-6-5-16(10)13(17)15-8-12-14-7-11(4-2)19-12/h7,10H,3-6,8-9H2,1-2H3,(H,15,17)
InChIKeyIJOIYYWKWDYCTI-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide (CID 71867674) is 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide is CCc1cnc(CNC(=O)N2CCOCC2CC)s1.
What is the InChIKey of 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is IJOIYYWKWDYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-10-9-18-6-5-16(10)13(17)15-8-12-14-7-11(4-2)19-12/h7,10H,3-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).