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

C12H10FNO2S — CID 53271155

IUPACmethyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c1-7-14-10(12(15)16-2)11(17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeyMILNSAORCXGXKI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.04
Rot. Bonds2

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

methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 53271155) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID53271155
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Namemethyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c1-7-14-10(12(15)16-2)11(17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeyMILNSAORCXGXKI-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 53271155) is methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1ccc(F)cc1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is MILNSAORCXGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-14-10(12(15)16-2)11(17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3.
What are the key properties of methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).