2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

C15H24N2OS — CID 112680767

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCc1nc(CC(O)C2CC3CCC(C2)N3C)sc1C
InChIInChI=1S/C15H24N2OS/c1-9-10(2)19-15(16-9)8-14(18)11-6-12-4-5-13(7-11)17(12)3/h11-14,18H,4-8H2,1-3H3
InChIKeyYHFBSSGJYMBOAZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.54
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 112680767) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
PubChem CID112680767
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCc1nc(CC(O)C2CC3CCC(C2)N3C)sc1C
InChIInChI=1S/C15H24N2OS/c1-9-10(2)19-15(16-9)8-14(18)11-6-12-4-5-13(7-11)17(12)3/h11-14,18H,4-8H2,1-3H3
InChIKeyYHFBSSGJYMBOAZ-UHFFFAOYSA-N
XLogP2.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (CID 112680767) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is Cc1nc(CC(O)C2CC3CCC(C2)N3C)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is YHFBSSGJYMBOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-9-10(2)19-15(16-9)8-14(18)11-6-12-4-5-13(7-11)17(12)3/h11-14,18H,4-8H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 280.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 112680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).