(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C12H9F3N2OS — CID 102757429

IUPAC(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1snnc1C
InChIInChI=1S/C12H9F3N2OS/c1-6-5-8(12(13,14)15)3-4-9(6)10(18)11-7(2)16-17-19-11/h3-5H,1-2H3
InChIKeyATFHBRZNYMHYHV-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.40
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102757429) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102757429
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1snnc1C
InChIInChI=1S/C12H9F3N2OS/c1-6-5-8(12(13,14)15)3-4-9(6)10(18)11-7(2)16-17-19-11/h3-5H,1-2H3
InChIKeyATFHBRZNYMHYHV-UHFFFAOYSA-N
XLogP3.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102757429) is (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1snnc1C.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ATFHBRZNYMHYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-6-5-8(12(13,14)15)3-4-9(6)10(18)11-7(2)16-17-19-11/h3-5H,1-2H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102757429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).