1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone

C15H16N2O4S — CID 164633953

IUPAC1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
SMILESCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)ns1
InChIInChI=1S/C15H16N2O4S/c1-10-7-12(16-22-10)15(19)17-4-6-20-9-11(17)8-13(18)14-3-2-5-21-14/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m0/s1
InChIKeyYQNILIXKLPLXBC-NSHDSACASA-N
MW320.37 g/mol
LogP2.16
Rot. Bonds4

About 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone

1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone (PubChem CID 164633953) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
PubChem CID164633953
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
SMILESCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)ns1
InChIInChI=1S/C15H16N2O4S/c1-10-7-12(16-22-10)15(19)17-4-6-20-9-11(17)8-13(18)14-3-2-5-21-14/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m0/s1
InChIKeyYQNILIXKLPLXBC-NSHDSACASA-N
XLogP2.16
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone (CID 164633953) is 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone is Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)ns1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone?
The InChIKey is YQNILIXKLPLXBC-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-7-12(16-22-10)15(19)17-4-6-20-9-11(17)8-13(18)14-3-2-5-21-14/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone has a molecular weight of 320.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 164633953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).