methyl 2-phenoxy-1,3-thiazole-4-carboxylate

C11H9NO3S — CID 69084587

IUPACmethyl 2-phenoxy-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Oc2ccccc2)n1
InChIInChI=1S/C11H9NO3S/c1-14-10(13)9-7-16-11(12-9)15-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYKDLQQWJZYJXKD-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.72
Rot. Bonds3

About methyl 2-phenoxy-1,3-thiazole-4-carboxylate

methyl 2-phenoxy-1,3-thiazole-4-carboxylate (PubChem CID 69084587) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl 2-phenoxy-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenoxy-1,3-thiazole-4-carboxylate
PubChem CID69084587
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Namemethyl 2-phenoxy-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Oc2ccccc2)n1
InChIInChI=1S/C11H9NO3S/c1-14-10(13)9-7-16-11(12-9)15-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYKDLQQWJZYJXKD-UHFFFAOYSA-N
XLogP2.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenoxy-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-phenoxy-1,3-thiazole-4-carboxylate (CID 69084587) is methyl 2-phenoxy-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-phenoxy-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-phenoxy-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Oc2ccccc2)n1.
What is the InChIKey of methyl 2-phenoxy-1,3-thiazole-4-carboxylate?
The InChIKey is YKDLQQWJZYJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-14-10(13)9-7-16-11(12-9)15-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of methyl 2-phenoxy-1,3-thiazole-4-carboxylate?
methyl 2-phenoxy-1,3-thiazole-4-carboxylate has a molecular weight of 235.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenoxy-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 69084587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).