1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol

C18H27NOS — CID 115826136

IUPAC1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1nc(CC(O)CC23CC4CC(CC(C4)C2)C3)sc1C
InChIInChI=1S/C18H27NOS/c1-11-12(2)21-17(19-11)6-16(20)10-18-7-13-3-14(8-18)5-15(4-13)9-18/h13-16,20H,3-10H2,1-2H3
InChIKeyVYYVDRKREGPUIW-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.27
Rot. Bonds4

About 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol

1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 115826136) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID115826136
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1nc(CC(O)CC23CC4CC(CC(C4)C2)C3)sc1C
InChIInChI=1S/C18H27NOS/c1-11-12(2)21-17(19-11)6-16(20)10-18-7-13-3-14(8-18)5-15(4-13)9-18/h13-16,20H,3-10H2,1-2H3
InChIKeyVYYVDRKREGPUIW-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 115824167
1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115826140
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454583
1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol
CID 79995222
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 112680767
1-(1-adamantyl)propan-2-ol
CID 5154050
[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107005797
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754344
1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
CID 112575426
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-2-ylethanol
CID 106634659
5-[2-(1-adamantyl)-1-bromoethyl]-3-bromo-2-methylthiophene
CID 102836165

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol (CID 115826136) is 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol is Cc1nc(CC(O)CC23CC4CC(CC(C4)C2)C3)sc1C.
What is the InChIKey of 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is VYYVDRKREGPUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-11-12(2)21-17(19-11)6-16(20)10-18-7-13-3-14(8-18)5-15(4-13)9-18/h13-16,20H,3-10H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 305.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 115826136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).