1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol

C15H19NOS — CID 116867562

IUPAC1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1cc(C)c(C)c(-c2csc(C(C)O)n2)c1C
InChIInChI=1S/C15H19NOS/c1-8-6-9(2)11(4)14(10(8)3)13-7-18-15(16-13)12(5)17/h6-7,12,17H,1-5H3
InChIKeyZWKPPQACVWSBQF-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.10
Rot. Bonds2

About 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol

1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116867562) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116867562
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1cc(C)c(C)c(-c2csc(C(C)O)n2)c1C
InChIInChI=1S/C15H19NOS/c1-8-6-9(2)11(4)14(10(8)3)13-7-18-15(16-13)12(5)17/h6-7,12,17H,1-5H3
InChIKeyZWKPPQACVWSBQF-UHFFFAOYSA-N
XLogP4.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol (CID 116867562) is 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol is Cc1cc(C)c(C)c(-c2csc(C(C)O)n2)c1C.
What is the InChIKey of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is ZWKPPQACVWSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-8-6-9(2)11(4)14(10(8)3)13-7-18-15(16-13)12(5)17/h6-7,12,17H,1-5H3.
What are the key properties of 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol?
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 261.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).