[(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol

C13H21N3O2S — CID 124618782

IUPAC[(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol
SMILESOC[C@]1(NC2CCN(c3nccs3)CC2)CCOC1
InChIInChI=1S/C13H21N3O2S/c17-9-13(3-7-18-10-13)15-11-1-5-16(6-2-11)12-14-4-8-19-12/h4,8,11,15,17H,1-3,5-7,9-10H2/t13-/m1/s1
InChIKeyMTRRJSUNAWYNNJ-CYBMUJFWSA-N
MW283.40 g/mol
LogP0.85
Rot. Bonds4

About [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol

[(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol (PubChem CID 124618782) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol
PubChem CID124618782
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name[(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol
SMILESOC[C@]1(NC2CCN(c3nccs3)CC2)CCOC1
InChIInChI=1S/C13H21N3O2S/c17-9-13(3-7-18-10-13)15-11-1-5-16(6-2-11)12-14-4-8-19-12/h4,8,11,15,17H,1-3,5-7,9-10H2/t13-/m1/s1
InChIKeyMTRRJSUNAWYNNJ-CYBMUJFWSA-N
XLogP0.85
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol with MolForge

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Related Compounds

3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
CID 62270280
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol?
The IUPAC name of [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol (CID 124618782) is [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol?
The canonical SMILES for [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol is OC[C@]1(NC2CCN(c3nccs3)CC2)CCOC1.
What is the InChIKey of [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol?
The InChIKey is MTRRJSUNAWYNNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-9-13(3-7-18-10-13)15-11-1-5-16(6-2-11)12-14-4-8-19-12/h4,8,11,15,17H,1-3,5-7,9-10H2/t13-/m1/s1.
What are the key properties of [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol?
[(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol has a molecular weight of 283.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]oxolan-3-yl]methanol is sourced from PubChem (CID 124618782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).