(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C15H23NO2S — CID 105115940

IUPAC(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESCc1ncsc1C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H23NO2S/c1-11-14(19-10-16-11)13(17)12-5-8-18-15(9-12)6-3-2-4-7-15/h10,12-13,17H,2-9H2,1H3
InChIKeyMWEDCTOJIOTZQB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.61
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 105115940) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID105115940
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESCc1ncsc1C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H23NO2S/c1-11-14(19-10-16-11)13(17)12-5-8-18-15(9-12)6-3-2-4-7-15/h10,12-13,17H,2-9H2,1H3
InChIKeyMWEDCTOJIOTZQB-UHFFFAOYSA-N
XLogP3.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
CID 113373079
(3-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115380927
(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81319068
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 105115940) is (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is Cc1ncsc1C(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is MWEDCTOJIOTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-14(19-10-16-11)13(17)12-5-8-18-15(9-12)6-3-2-4-7-15/h10,12-13,17H,2-9H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 281.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 105115940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).