2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol

C11H17NOS — CID 130727956

IUPAC2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCC(C)(C1CCC1)C(O)c1ccsn1
InChIInChI=1S/C11H17NOS/c1-11(2,8-4-3-5-8)10(13)9-6-7-14-12-9/h6-8,10,13H,3-5H2,1-2H3
InChIKeyCFHFHMWORGRPTH-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.00
Rot. Bonds3

About 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol

2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol (PubChem CID 130727956) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
PubChem CID130727956
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCC(C)(C1CCC1)C(O)c1ccsn1
InChIInChI=1S/C11H17NOS/c1-11(2,8-4-3-5-8)10(13)9-6-7-14-12-9/h6-8,10,13H,3-5H2,1-2H3
InChIKeyCFHFHMWORGRPTH-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
2-Ethyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002598

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The IUPAC name of 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol (CID 130727956) is 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol is CC(C)(C1CCC1)C(O)c1ccsn1.
What is the InChIKey of 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The InChIKey is CFHFHMWORGRPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,8-4-3-5-8)10(13)9-6-7-14-12-9/h6-8,10,13H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 130727956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).