methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

C11H8FNO2S — CID 57362704

IUPACmethyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H8FNO2S/c1-15-11(14)9-6-13-10(16-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyQCJXSNAXZDAWFS-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.74
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 57362704) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID57362704
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Namemethyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H8FNO2S/c1-15-11(14)9-6-13-10(16-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyQCJXSNAXZDAWFS-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 57362704) is methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is QCJXSNAXZDAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-15-11(14)9-6-13-10(16-9)7-2-4-8(12)5-3-7/h2-6H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57362704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).