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

C13H20N2O2S — CID 79088434

IUPAC1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(C2CN3CCCC3CO2)sc1C(C)O
InChIInChI=1S/C13H20N2O2S/c1-8-12(9(2)16)18-13(14-8)11-6-15-5-3-4-10(15)7-17-11/h9-11,16H,3-7H2,1-2H3
InChIKeyWWLPAMCTRKPNPC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.04
Rot. Bonds2

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

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 79088434) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID79088434
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(C2CN3CCCC3CO2)sc1C(C)O
InChIInChI=1S/C13H20N2O2S/c1-8-12(9(2)16)18-13(14-8)11-6-15-5-3-4-10(15)7-17-11/h9-11,16H,3-7H2,1-2H3
InChIKeyWWLPAMCTRKPNPC-UHFFFAOYSA-N
XLogP2.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 79088434) is 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(C2CN3CCCC3CO2)sc1C(C)O.
What is the InChIKey of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is WWLPAMCTRKPNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-12(9(2)16)18-13(14-8)11-6-15-5-3-4-10(15)7-17-11/h9-11,16H,3-7H2,1-2H3.
What are the key properties of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 79088434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).