(4-ethylphenyl)-(1,2-thiazol-5-yl)methanol

C12H13NOS — CID 119094112

IUPAC(4-ethylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCCc1ccc(C(O)c2ccns2)cc1
InChIInChI=1S/C12H13NOS/c1-2-9-3-5-10(6-4-9)12(14)11-7-8-13-15-11/h3-8,12,14H,2H2,1H3
InChIKeyGRYADYZWIROOEB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.79
Rot. Bonds3

About (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol

(4-ethylphenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 119094112) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID119094112
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(4-ethylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCCc1ccc(C(O)c2ccns2)cc1
InChIInChI=1S/C12H13NOS/c1-2-9-3-5-10(6-4-9)12(14)11-7-8-13-15-11/h3-8,12,14H,2H2,1H3
InChIKeyGRYADYZWIROOEB-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
5-[3-(2-Methoxyethyl)phenyl]-1,2-thiazole
CID 125423718
[4-(3-Cyclobutylphenyl)-1,2-thiazol-5-yl]methanol
CID 132395460
(2,4-Difluorophenyl)-phenyl-(1,2-thiazol-5-yl)methanol
CID 20253738
(2-Fluoro-5-iodophenyl)-(1,2-thiazol-5-yl)methanol
CID 58221419
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
(4-Chlorophenyl)-(1,2-thiazol-5-yl)methanol
CID 119087694
(4-Methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 119094111
(3-Chlorophenyl)-(1,2-thiazol-5-yl)methanol
CID 130794593

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol (CID 119094112) is (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol is CCc1ccc(C(O)c2ccns2)cc1.
What is the InChIKey of (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is GRYADYZWIROOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-9-3-5-10(6-4-9)12(14)11-7-8-13-15-11/h3-8,12,14H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol?
(4-ethylphenyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 219.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 119094112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).