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

C17H20N2O4S — CID 97244050

IUPAC1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
SMILESCC(C)c1ncc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)s1
InChIInChI=1S/C17H20N2O4S/c1-11(2)16-18-9-15(24-16)17(21)19-5-7-22-10-12(19)8-13(20)14-4-3-6-23-14/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyIFRZDAKMVGVOFR-LBPRGKRZSA-N
MW348.42 g/mol
LogP2.97
Rot. Bonds5

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

1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone (PubChem CID 97244050) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
PubChem CID97244050
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
SMILESCC(C)c1ncc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)s1
InChIInChI=1S/C17H20N2O4S/c1-11(2)16-18-9-15(24-16)17(21)19-5-7-22-10-12(19)8-13(20)14-4-3-6-23-14/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyIFRZDAKMVGVOFR-LBPRGKRZSA-N
XLogP2.97
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-yl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-3-yl]ethanone
CID 75389850
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040
2-[(3S)-4-(3-chloropyridine-4-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244027
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
CID 97244053
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
1-(furan-2-yl)-2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)morpholin-3-yl]ethanone
CID 91661795

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone (CID 97244050) is 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone is CC(C)c1ncc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)s1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone?
The InChIKey is IFRZDAKMVGVOFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11(2)16-18-9-15(24-16)17(21)19-5-7-22-10-12(19)8-13(20)14-4-3-6-23-14/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone has a molecular weight of 348.42 g/mol, XLogP of 2.97, 5 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-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 97244050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).