[1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol

C13H20N2O2S — CID 164636767

IUPAC[1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol
SMILESOCC1(NCc2cnc([C@@H]3CCCO3)s2)CCC1
InChIInChI=1S/C13H20N2O2S/c16-9-13(4-2-5-13)15-8-10-7-14-12(18-10)11-3-1-6-17-11/h7,11,15-16H,1-6,8-9H2/t11-/m0/s1
InChIKeyDAAPPHMIEPVTHP-NSHDSACASA-N
MW268.38 g/mol
LogP2.00
Rot. Bonds5

About [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol

[1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol (PubChem CID 164636767) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol
PubChem CID164636767
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol
SMILESOCC1(NCc2cnc([C@@H]3CCCO3)s2)CCC1
InChIInChI=1S/C13H20N2O2S/c16-9-13(4-2-5-13)15-8-10-7-14-12(18-10)11-3-1-6-17-11/h7,11,15-16H,1-6,8-9H2/t11-/m0/s1
InChIKeyDAAPPHMIEPVTHP-NSHDSACASA-N
XLogP2.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol (CID 164636767) is [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol is OCC1(NCc2cnc([C@@H]3CCCO3)s2)CCC1.
What is the InChIKey of [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol?
The InChIKey is DAAPPHMIEPVTHP-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-9-13(4-2-5-13)15-8-10-7-14-12(18-10)11-3-1-6-17-11/h7,11,15-16H,1-6,8-9H2/t11-/m0/s1.
What are the key properties of [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol?
[1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol has a molecular weight of 268.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methylamino]cyclobutyl]methanol is sourced from PubChem (CID 164636767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).