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

C8H13NO2S — CID 130659054

IUPAC3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
SMILESCC(C)C(O)C(O)c1ccsn1
InChIInChI=1S/C8H13NO2S/c1-5(2)7(10)8(11)6-3-4-12-9-6/h3-5,7-8,10-11H,1-2H3
InChIKeyJFNPCECSDXLQAX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.19
Rot. Bonds3

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

3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol (PubChem CID 130659054) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol.

Molecular Properties

Compound Name3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
PubChem CID130659054
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
SMILESCC(C)C(O)C(O)c1ccsn1
InChIInChI=1S/C8H13NO2S/c1-5(2)7(10)8(11)6-3-4-12-9-6/h3-5,7-8,10-11H,1-2H3
InChIKeyJFNPCECSDXLQAX-UHFFFAOYSA-N
XLogP1.19
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Isothiazol-3-yl)ethanol
CID 19017861
4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596526
(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
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
The IUPAC name of 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol (CID 130659054) is 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol.
What is the SMILES notation for 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
The canonical SMILES for 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol is CC(C)C(O)C(O)c1ccsn1.
What is the InChIKey of 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
The InChIKey is JFNPCECSDXLQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-5(2)7(10)8(11)6-3-4-12-9-6/h3-5,7-8,10-11H,1-2H3.
What are the key properties of 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol?
3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol has a molecular weight of 187.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol is sourced from PubChem (CID 130659054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).