3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol

C9H15NO2S — CID 126985715

IUPAC3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
SMILESCC(C)(C)C(O)C(O)c1ccsn1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)8(12)7(11)6-4-5-13-10-6/h4-5,7-8,11-12H,1-3H3
InChIKeyYTBSXYYINTVLAF-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.58
Rot. Bonds2

About 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol

3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol (PubChem CID 126985715) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
PubChem CID126985715
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
SMILESCC(C)(C)C(O)C(O)c1ccsn1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)8(12)7(11)6-4-5-13-10-6/h4-5,7-8,11-12H,1-3H3
InChIKeyYTBSXYYINTVLAF-UHFFFAOYSA-N
XLogP1.58
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596526
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
(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
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
2-Methoxy-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127004478
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
CID 130604796
1-(1,2-Thiazol-3-yl)propane-1,2-diol
CID 130604797

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
The IUPAC name of 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol (CID 126985715) is 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol.
What is the SMILES notation for 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
The canonical SMILES for 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol is CC(C)(C)C(O)C(O)c1ccsn1.
What is the InChIKey of 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
The InChIKey is YTBSXYYINTVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,3)8(12)7(11)6-4-5-13-10-6/h4-5,7-8,11-12H,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol has a molecular weight of 201.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol is sourced from PubChem (CID 126985715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).