1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol

C12H18N2O2S — CID 55112226

IUPAC1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C12H18N2O2S/c1-8(15)11-7-13-12(17-11)14-5-6-16-10-4-2-3-9(10)14/h7-10,15H,2-6H2,1H3
InChIKeyYWILKWKBSODSKY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.95
Rot. Bonds2

About 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 55112226) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID55112226
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C12H18N2O2S/c1-8(15)11-7-13-12(17-11)14-5-6-16-10-4-2-3-9(10)14/h7-10,15H,2-6H2,1H3
InChIKeyYWILKWKBSODSKY-UHFFFAOYSA-N
XLogP1.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol with MolForge

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Related Compounds

2,2,2-Trifluoro-1-(2-morpholinothiazol-5-yl)ethanol
CID 67401740
2-Fluoro-1-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]ethan-1-ol
CID 165612239
2,2-Difluoro-1-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]ethan-1-ol
CID 165631720
(1S)-2,2,2-trifluoro-1-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]ethan-1-ol
CID 165631721
(1R)-2,2,2-trifluoro-1-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]ethan-1-ol
CID 165649156
1-[2-[(1-Ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol
CID 55111893
1-[2-[Pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 55111940
1-[2-(4-Ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]ethanol
CID 55112033
1-[2-[2-Methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112082
1-[2-[Bis(2-methoxyethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112179
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55112210
1-[2-[2-Methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112228

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol (CID 55112226) is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCOC3CCCC32)s1.
What is the InChIKey of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is YWILKWKBSODSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(15)11-7-13-12(17-11)14-5-6-16-10-4-2-3-9(10)14/h7-10,15H,2-6H2,1H3.
What are the key properties of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).