5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol

C12H21NO2S — CID 103035465

IUPAC5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
SMILESCOC(C)(C)CCC(O)Cc1csc(C)n1
InChIInChI=1S/C12H21NO2S/c1-9-13-10(8-16-9)7-11(14)5-6-12(2,3)15-4/h8,11,14H,5-7H2,1-4H3
InChIKeyPNHFWCLXUSUCDT-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.56
Rot. Bonds6

About 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol

5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol (PubChem CID 103035465) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
PubChem CID103035465
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
SMILESCOC(C)(C)CCC(O)Cc1csc(C)n1
InChIInChI=1S/C12H21NO2S/c1-9-13-10(8-16-9)7-11(14)5-6-12(2,3)15-4/h8,11,14H,5-7H2,1-4H3
InChIKeyPNHFWCLXUSUCDT-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
The IUPAC name of 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol (CID 103035465) is 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol.
What is the SMILES notation for 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
The canonical SMILES for 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol is COC(C)(C)CCC(O)Cc1csc(C)n1.
What is the InChIKey of 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
The InChIKey is PNHFWCLXUSUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-9-13-10(8-16-9)7-11(14)5-6-12(2,3)15-4/h8,11,14H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol has a molecular weight of 243.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol is sourced from PubChem (CID 103035465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).