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

C12H12FNO2S — CID 69463017

IUPACmethyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1(C)CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C12H12FNO2S/c1-12(11(15)16-2)7-17-10(14-12)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3
InChIKeyYCZLGTBBTNVADG-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.25
Rot. Bonds2

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

methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate (PubChem CID 69463017) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
PubChem CID69463017
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Namemethyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1(C)CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C12H12FNO2S/c1-12(11(15)16-2)7-17-10(14-12)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3
InChIKeyYCZLGTBBTNVADG-UHFFFAOYSA-N
XLogP2.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.25
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)-4-methyl-5H-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate (CID 69463017) is methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate is COC(=O)C1(C)CSC(c2ccc(F)cc2)=N1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
The InChIKey is YCZLGTBBTNVADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-12(11(15)16-2)7-17-10(14-12)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
methyl 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 2.25, 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)-4-methyl-5H-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 69463017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).