2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

C16H25NO2S — CID 79922112

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCOC3(CCCCC3)C2)cs1
InChIInChI=1S/C16H25NO2S/c1-12-17-14(11-20-12)9-15(18)13-5-8-19-16(10-13)6-3-2-4-7-16/h11,13,15,18H,2-10H2,1H3
InChIKeyBMFYVRBQYCCPJC-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79922112) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79922112
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCOC3(CCCCC3)C2)cs1
InChIInChI=1S/C16H25NO2S/c1-12-17-14(11-20-12)9-15(18)13-5-8-19-16(10-13)6-3-2-4-7-16/h11,13,15,18H,2-10H2,1H3
InChIKeyBMFYVRBQYCCPJC-UHFFFAOYSA-N
XLogP3.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 64740229
[2-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105214641
(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119078
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
CID 113373079
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
CID 79924322
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (CID 79922112) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is Cc1nc(CC(O)C2CCOC3(CCCCC3)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is BMFYVRBQYCCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12-17-14(11-20-12)9-15(18)13-5-8-19-16(10-13)6-3-2-4-7-16/h11,13,15,18H,2-10H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 295.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79922112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).