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

C10H17NOS — CID 130697692

IUPAC2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1cc(C)ns1
InChIInChI=1S/C10H17NOS/c1-5-10(3,4)9(12)8-6-7(2)11-13-8/h6,9,12H,5H2,1-4H3
InChIKeyQKWLOYMWYIFZSK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.92
Rot. Bonds3

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

2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol (PubChem CID 130697692) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
PubChem CID130697692
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1cc(C)ns1
InChIInChI=1S/C10H17NOS/c1-5-10(3,4)9(12)8-6-7(2)11-13-8/h6,9,12H,5H2,1-4H3
InChIKeyQKWLOYMWYIFZSK-UHFFFAOYSA-N
XLogP2.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol
CID 130621249
3-methyl-5-propan-2-yl-1,2-thiazole
CID 20605583
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 62677118
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 130727781
(2-methylfuran-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130906086
2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130935016
2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-one
CID 130604778
2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
CID 131084688
(4-fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 129323058
ethane;5-ethyl-3-methyl-1,2-thiazole;propane
CID 145022524

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol (CID 130697692) is 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol is CCC(C)(C)C(O)c1cc(C)ns1.
What is the InChIKey of 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is QKWLOYMWYIFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-5-10(3,4)9(12)8-6-7(2)11-13-8/h6,9,12H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 130697692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).