2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol

C11H19NOS — CID 126985711

IUPAC2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCC(C)(C)C(C)(C)C(O)c1ccsn1
InChIInChI=1S/C11H19NOS/c1-10(2,3)11(4,5)9(13)8-6-7-14-12-8/h6-7,9,13H,1-5H3
InChIKeyQMLZEAYXQLAZOG-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.25
Rot. Bonds2

About 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol

2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol (PubChem CID 126985711) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
PubChem CID126985711
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCC(C)(C)C(C)(C)C(O)c1ccsn1
InChIInChI=1S/C11H19NOS/c1-10(2,3)11(4,5)9(13)8-6-7-14-12-8/h6-7,9,13H,1-5H3
InChIKeyQMLZEAYXQLAZOG-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Isothiazol-3-yl)ethanol
CID 19017861
(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
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
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
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The IUPAC name of 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol (CID 126985711) is 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The canonical SMILES for 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol is CC(C)(C)C(C)(C)C(O)c1ccsn1.
What is the InChIKey of 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The InChIKey is QMLZEAYXQLAZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-10(2,3)11(4,5)9(13)8-6-7-14-12-8/h6-7,9,13H,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol is sourced from PubChem (CID 126985711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).