(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone

C13H12FNOS — CID 106883197

IUPAC(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C)c(C(=O)c2scnc2C)c(F)c1
InChIInChI=1S/C13H12FNOS/c1-7-4-8(2)11(10(14)5-7)12(16)13-9(3)15-6-17-13/h4-6H,1-3H3
InChIKeyMFLZGJSZPLCILC-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.44
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 106883197) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID106883197
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C)c(C(=O)c2scnc2C)c(F)c1
InChIInChI=1S/C13H12FNOS/c1-7-4-8(2)11(10(14)5-7)12(16)13-9(3)15-6-17-13/h4-6H,1-3H3
InChIKeyMFLZGJSZPLCILC-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone (CID 106883197) is (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cc(C)c(C(=O)c2scnc2C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is MFLZGJSZPLCILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-7-4-8(2)11(10(14)5-7)12(16)13-9(3)15-6-17-13/h4-6H,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 106883197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).