2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol

C10H17NO2S — CID 81217768

IUPAC2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol
SMILESCc1csc(COCC(C)(C)CO)n1
InChIInChI=1S/C10H17NO2S/c1-8-5-14-9(11-8)4-13-7-10(2,3)6-12/h5,12H,4,6-7H2,1-3H3
InChIKeyRJUWXZPYEBYIJN-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.99
Rot. Bonds5

About 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol

2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol (PubChem CID 81217768) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol
PubChem CID81217768
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol
SMILESCc1csc(COCC(C)(C)CO)n1
InChIInChI=1S/C10H17NO2S/c1-8-5-14-9(11-8)4-13-7-10(2,3)6-12/h5,12H,4,6-7H2,1-3H3
InChIKeyRJUWXZPYEBYIJN-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol
CID 81218101
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
2-ethyl-4-methyl-1,3-thiazole
CID 27440
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 167073977
(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
CID 70669978

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol (CID 81217768) is 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol is Cc1csc(COCC(C)(C)CO)n1.
What is the InChIKey of 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol?
The InChIKey is RJUWXZPYEBYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8-5-14-9(11-8)4-13-7-10(2,3)6-12/h5,12H,4,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol?
2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol is sourced from PubChem (CID 81217768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).