ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride

C13H14ClNO3S — CID 136661905

IUPACethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(-c2ccc(O)cc2)nc1C.Cl
InChIInChI=1S/C13H13NO3S.ClH/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9;/h4-7,15H,3H2,1-2H3;1H
InChIKeyFNHJNGXGYJUCHA-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.42
Rot. Bonds3

About ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride

ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 136661905) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID136661905
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Nameethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(-c2ccc(O)cc2)nc1C.Cl
InChIInChI=1S/C13H13NO3S.ClH/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9;/h4-7,15H,3H2,1-2H3;1H
InChIKeyFNHJNGXGYJUCHA-UHFFFAOYSA-N
XLogP3.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775
ethyl 4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 3824379
ethyl 4-methyl-2-[4-(2-trimethylsilylethynyl)phenyl]-1,3-thiazole-5-carboxylate
CID 23563115
ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135737466
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 71610364
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 4-methyl-2-[3-methyl-5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazole-5-carboxylate
CID 66645098
pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 43021630
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (CID 136661905) is ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is CCOC(=O)c1sc(-c2ccc(O)cc2)nc1C.Cl.
What is the InChIKey of ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is FNHJNGXGYJUCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S.ClH/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9;/h4-7,15H,3H2,1-2H3;1H.
What are the key properties of ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 299.78 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 136661905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).