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

C8H13NOS — CID 79819044

IUPAC2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCCC(C)(O)Cc1nccs1
InChIInChI=1S/C8H13NOS/c1-3-8(2,10)6-7-9-4-5-11-7/h4-5,10H,3,6H2,1-2H3
InChIKeyMNJMRQAUFHEQJE-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.85
Rot. Bonds3

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

2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79819044) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79819044
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCCC(C)(O)Cc1nccs1
InChIInChI=1S/C8H13NOS/c1-3-8(2,10)6-7-9-4-5-11-7/h4-5,10H,3,6H2,1-2H3
InChIKeyMNJMRQAUFHEQJE-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045
4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79820463
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819687
4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol
CID 83075531
3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103447076
2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
CID 144892398
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
CID 79823757
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79819044) is 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is CCC(C)(O)Cc1nccs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is MNJMRQAUFHEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-8(2,10)6-7-9-4-5-11-7/h4-5,10H,3,6H2,1-2H3.
What are the key properties of 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 171.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79819044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).