methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C14H13FN2O4S — CID 2253010

IUPACmethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccccc2F)nc1C
InChIInChI=1S/C14H13FN2O4S/c1-8-12(13(19)20-2)22-14(16-8)17-11(18)7-21-10-6-4-3-5-9(10)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyUUFDZEHNMNOWBH-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2253010) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2253010
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Namemethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccccc2F)nc1C
InChIInChI=1S/C14H13FN2O4S/c1-8-12(13(19)20-2)22-14(16-8)17-11(18)7-21-10-6-4-3-5-9(10)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyUUFDZEHNMNOWBH-UHFFFAOYSA-N
XLogP2.39
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2253010) is methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2ccccc2F)nc1C.
What is the InChIKey of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UUFDZEHNMNOWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-8-12(13(19)20-2)22-14(16-8)17-11(18)7-21-10-6-4-3-5-9(10)15/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2253010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).