1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol

C13H21NO2S — CID 115824182

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
SMILESCc1csc(CC(O)CCC2CCCCO2)n1
InChIInChI=1S/C13H21NO2S/c1-10-9-17-13(14-10)8-11(15)5-6-12-4-2-3-7-16-12/h9,11-12,15H,2-8H2,1H3
InChIKeyANPPPZTUEIRDAT-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol

1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol (PubChem CID 115824182) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
PubChem CID115824182
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
SMILESCc1csc(CC(O)CCC2CCCCO2)n1
InChIInChI=1S/C13H21NO2S/c1-10-9-17-13(14-10)8-11(15)5-6-12-4-2-3-7-16-12/h9,11-12,15H,2-8H2,1H3
InChIKeyANPPPZTUEIRDAT-UHFFFAOYSA-N
XLogP2.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
[1-(4-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198617
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine
CID 99777451
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-ol
CID 115814532
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105117704
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol (CID 115824182) is 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol is Cc1csc(CC(O)CCC2CCCCO2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol?
The InChIKey is ANPPPZTUEIRDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-9-17-13(14-10)8-11(15)5-6-12-4-2-3-7-16-12/h9,11-12,15H,2-8H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol?
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol has a molecular weight of 255.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol is sourced from PubChem (CID 115824182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).