[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol

C11H16N2O2S — CID 79086067

IUPAC[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C11H16N2O2S/c14-6-9-4-12-11(16-9)10-5-13-3-1-2-8(13)7-15-10/h4,8,10,14H,1-3,5-7H2
InChIKeyQITALNPFHSGYJJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.17
Rot. Bonds2

About [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 79086067) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol
PubChem CID79086067
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C11H16N2O2S/c14-6-9-4-12-11(16-9)10-5-13-3-1-2-8(13)7-15-10/h4,8,10,14H,1-3,5-7H2
InChIKeyQITALNPFHSGYJJ-UHFFFAOYSA-N
XLogP1.17
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Oxolan-2-yl)-1,3-thiazol-5-yl]methanol
CID 64981614
1-[2-(Oxolan-2-yl)-1,3-thiazol-5-yl]ethanol
CID 65328717
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 79077679
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79083490
[2-(4-Methylmorpholin-2-yl)-1,3-thiazol-5-yl]methanol
CID 79086066
3-[5-(chloromethyl)-1,3-thiazol-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79086195
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79088334
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 79088707
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 79089153
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79089252
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 79089340
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79089438

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol (CID 79086067) is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(C2CN3CCCC3CO2)s1.
What is the InChIKey of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is QITALNPFHSGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-6-9-4-12-11(16-9)10-5-13-3-1-2-8(13)7-15-10/h4,8,10,14H,1-3,5-7H2.
What are the key properties of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol?
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 240.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79086067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).