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

C11H10FNO2S — CID 69463031

IUPACmethyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC(c2cccc(F)c2)=N1
InChIInChI=1S/C11H10FNO2S/c1-15-11(14)9-6-16-10(13-9)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3
InChIKeyLSHNGZSFDOJMSL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.86
Rot. Bonds2

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

methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 69463031) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID69463031
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Namemethyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC(c2cccc(F)c2)=N1
InChIInChI=1S/C11H10FNO2S/c1-15-11(14)9-6-16-10(13-9)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3
InChIKeyLSHNGZSFDOJMSL-UHFFFAOYSA-N
XLogP1.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 69463031) is methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)C1CSC(c2cccc(F)c2)=N1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is LSHNGZSFDOJMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-15-11(14)9-6-16-10(13-9)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 69463031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).