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

C12H13NOS — CID 62651208

IUPAC1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(-c2ncc(C(C)O)s2)cc1
InChIInChI=1S/C12H13NOS/c1-8-3-5-10(6-4-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3
InChIKeyVWHFNNXAJHUUSM-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.17
Rot. Bonds2

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

1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 62651208) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID62651208
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(-c2ncc(C(C)O)s2)cc1
InChIInChI=1S/C12H13NOS/c1-8-3-5-10(6-4-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3
InChIKeyVWHFNNXAJHUUSM-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol (CID 62651208) is 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol is Cc1ccc(-c2ncc(C(C)O)s2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is VWHFNNXAJHUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-3-5-10(6-4-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 219.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62651208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).