(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone

C12H11FN2OS — CID 106883260

IUPAC(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1cc(C)c(C(=O)c2snnc2C)c(F)c1
InChIInChI=1S/C12H11FN2OS/c1-6-4-7(2)10(9(13)5-6)11(16)12-8(3)14-15-17-12/h4-5H,1-3H3
InChIKeyJWXLFEFETFRBNI-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.83
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 106883260) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID106883260
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1cc(C)c(C(=O)c2snnc2C)c(F)c1
InChIInChI=1S/C12H11FN2OS/c1-6-4-7(2)10(9(13)5-6)11(16)12-8(3)14-15-17-12/h4-5H,1-3H3
InChIKeyJWXLFEFETFRBNI-UHFFFAOYSA-N
XLogP2.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone (CID 106883260) is (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone is Cc1cc(C)c(C(=O)c2snnc2C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is JWXLFEFETFRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-6-4-7(2)10(9(13)5-6)11(16)12-8(3)14-15-17-12/h4-5H,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 106883260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).