4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol

C11H19NO2S — CID 103457297

IUPAC4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
SMILESCc1csc(CC(O)C(O)C(C)(C)C)n1
InChIInChI=1S/C11H19NO2S/c1-7-6-15-9(12-7)5-8(13)10(14)11(2,3)4/h6,8,10,13-14H,5H2,1-4H3
InChIKeyWMBYWTDOJGQVMB-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.76
Rot. Bonds3

About 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol

4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol (PubChem CID 103457297) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
PubChem CID103457297
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
SMILESCc1csc(CC(O)C(O)C(C)(C)C)n1
InChIInChI=1S/C11H19NO2S/c1-7-6-15-9(12-7)5-8(13)10(14)11(2,3)4/h6,8,10,13-14H,5H2,1-4H3
InChIKeyWMBYWTDOJGQVMB-UHFFFAOYSA-N
XLogP1.76
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 115824151
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 167073977
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The IUPAC name of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol (CID 103457297) is 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol.
What is the SMILES notation for 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The canonical SMILES for 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol is Cc1csc(CC(O)C(O)C(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The InChIKey is WMBYWTDOJGQVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-7-6-15-9(12-7)5-8(13)10(14)11(2,3)4/h6,8,10,13-14H,5H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol?
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol has a molecular weight of 229.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol is sourced from PubChem (CID 103457297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).