3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol

C10H17NOS — CID 130656094

IUPAC3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCc1cc(C(C)(O)C(C)(C)C)sn1
InChIInChI=1S/C10H17NOS/c1-7-6-8(13-11-7)10(5,12)9(2,3)4/h6,12H,1-5H3
InChIKeyJATIAJKXGBGXBL-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.71
Rot. Bonds1

About 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol

3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 130656094) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
PubChem CID130656094
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCc1cc(C(C)(O)C(C)(C)C)sn1
InChIInChI=1S/C10H17NOS/c1-7-6-8(13-11-7)10(5,12)9(2,3)4/h6,12H,1-5H3
InChIKeyJATIAJKXGBGXBL-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
3-Ethoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 127004477
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
CID 130604796
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (CID 130656094) is 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is Cc1cc(C(C)(O)C(C)(C)C)sn1.
What is the InChIKey of 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is JATIAJKXGBGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7-6-8(13-11-7)10(5,12)9(2,3)4/h6,12H,1-5H3.
What are the key properties of 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 130656094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).