2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

C17H20N2O4S — CID 97059723

IUPAC2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccco2)cs1
InChIInChI=1S/C17H20N2O4S/c1-2-16-18-12(11-24-16)8-17(21)19-5-7-22-10-13(19)9-14(20)15-4-3-6-23-15/h3-4,6,11,13H,2,5,7-10H2,1H3/t13-/m1/s1
InChIKeyXYDLIZACHIFPGK-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.34
Rot. Bonds6

About 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (PubChem CID 97059723) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
PubChem CID97059723
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccco2)cs1
InChIInChI=1S/C17H20N2O4S/c1-2-16-18-12(11-24-16)8-17(21)19-5-7-22-10-13(19)9-14(20)15-4-3-6-23-15/h3-4,6,11,13H,2,5,7-10H2,1H3/t13-/m1/s1
InChIKeyXYDLIZACHIFPGK-CYBMUJFWSA-N
XLogP2.34
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (CID 97059723) is 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is CCc1nc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccco2)cs1.
What is the InChIKey of 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The InChIKey is XYDLIZACHIFPGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-16-18-12(11-24-16)8-17(21)19-5-7-22-10-13(19)9-14(20)15-4-3-6-23-15/h3-4,6,11,13H,2,5,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone has a molecular weight of 348.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 97059723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).