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

C16H25N3O3S — CID 72845787

IUPAC[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cs1
InChIInChI=1S/C16H25N3O3S/c1-11-9-19(14(20)13-10-23-15(17-2)18-13)6-5-16(11,21)12-3-7-22-8-4-12/h10-12,21H,3-9H2,1-2H3,(H,17,18)/t11-,16+/m1/s1
InChIKeySOSYORNWQAABGF-BZNIZROVSA-N
MW339.46 g/mol
LogP1.82
Rot. Bonds3

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

[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 72845787) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID72845787
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cs1
InChIInChI=1S/C16H25N3O3S/c1-11-9-19(14(20)13-10-23-15(17-2)18-13)6-5-16(11,21)12-3-7-22-8-4-12/h10-12,21H,3-9H2,1-2H3,(H,17,18)/t11-,16+/m1/s1
InChIKeySOSYORNWQAABGF-BZNIZROVSA-N
XLogP1.82
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 72845787) is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cs1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is SOSYORNWQAABGF-BZNIZROVSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-9-19(14(20)13-10-23-15(17-2)18-13)6-5-16(11,21)12-3-7-22-8-4-12/h10-12,21H,3-9H2,1-2H3,(H,17,18)/t11-,16+/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 339.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 72845787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).