(2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate

C13H13NO4S — CID 2475805

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2csc(C)n2)c(O)c1
InChIInChI=1S/C13H13NO4S/c1-8-14-9(7-19-8)6-18-13(16)11-4-3-10(17-2)5-12(11)15/h3-5,7,15H,6H2,1-2H3
InChIKeyPWJJFOPAFDHVEW-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.52
Rot. Bonds4

About (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate

(2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate (PubChem CID 2475805) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate
PubChem CID2475805
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2csc(C)n2)c(O)c1
InChIInChI=1S/C13H13NO4S/c1-8-14-9(7-19-8)6-18-13(16)11-4-3-10(17-2)5-12(11)15/h3-5,7,15H,6H2,1-2H3
InChIKeyPWJJFOPAFDHVEW-UHFFFAOYSA-N
XLogP2.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate (CID 2475805) is (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCc2csc(C)n2)c(O)c1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate?
The InChIKey is PWJJFOPAFDHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-8-14-9(7-19-8)6-18-13(16)11-4-3-10(17-2)5-12(11)15/h3-5,7,15H,6H2,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate?
(2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate has a molecular weight of 279.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 2475805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).