ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate

C13H13NO3S — CID 15691767

IUPACethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc(O)c(C)s2)cc1
InChIInChI=1S/C13H13NO3S/c1-3-17-13(16)10-6-4-9(5-7-10)12-14-11(15)8(2)18-12/h4-7,15H,3H2,1-2H3
InChIKeyMHNVFOGDZKNSRC-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.00
Rot. Bonds3

About ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate

ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate (PubChem CID 15691767) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
PubChem CID15691767
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Nameethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc(O)c(C)s2)cc1
InChIInChI=1S/C13H13NO3S/c1-3-17-13(16)10-6-4-9(5-7-10)12-14-11(15)8(2)18-12/h4-7,15H,3H2,1-2H3
InChIKeyMHNVFOGDZKNSRC-UHFFFAOYSA-N
XLogP3.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate (CID 15691767) is ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate is CCOC(=O)c1ccc(-c2nc(O)c(C)s2)cc1.
What is the InChIKey of ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is MHNVFOGDZKNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-13(16)10-6-4-9(5-7-10)12-14-11(15)8(2)18-12/h4-7,15H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate has a molecular weight of 263.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 15691767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).