(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

C18H28N2O3S — CID 72883504

IUPAC(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C18H28N2O3S/c1-4-15-16(24-13(3)19-15)17(21)20-8-7-18(22,12(2)11-20)14-5-9-23-10-6-14/h12,14,22H,4-11H2,1-3H3/t12-,18+/m1/s1
InChIKeySXYCNNKPTTVSKM-XIKOKIGWSA-N
MW352.50 g/mol
LogP2.65
Rot. Bonds3

About (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (PubChem CID 72883504) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
PubChem CID72883504
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C18H28N2O3S/c1-4-15-16(24-13(3)19-15)17(21)20-8-7-18(22,12(2)11-20)14-5-9-23-10-6-14/h12,14,22H,4-11H2,1-3H3/t12-,18+/m1/s1
InChIKeySXYCNNKPTTVSKM-XIKOKIGWSA-N
XLogP2.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 156607362
[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 133121944
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 72889049
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 72921999
(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 72840549
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72918274
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 77090670
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 72912565
1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 156603833
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
2-(4-fluoro-3-methylphenyl)-1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]ethanone
CID 156605299

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (CID 72883504) is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is CCc1nc(C)sc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The InChIKey is SXYCNNKPTTVSKM-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-15-16(24-13(3)19-15)17(21)20-8-7-18(22,12(2)11-20)14-5-9-23-10-6-14/h12,14,22H,4-11H2,1-3H3/t12-,18+/m1/s1.
What are the key properties of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone has a molecular weight of 352.50 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72883504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).