thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone

C10H5F3N2OS — CID 105095603

IUPACthiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1csnn1
InChIInChI=1S/C10H5F3N2OS/c11-10(12,13)7-3-1-6(2-4-7)9(16)8-5-17-15-14-8/h1-5H
InChIKeyCSWKLKWCPSUOIB-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.79
Rot. Bonds2

About thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone

thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 105095603) has the molecular formula C10H5F3N2OS and a molecular weight of 258.22 g/mol. Its IUPAC name is thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namethiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID105095603
Molecular FormulaC10H5F3N2OS
Molecular Weight258.22 g/mol
Exact Mass258.01
IUPAC Namethiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1csnn1
InChIInChI=1S/C10H5F3N2OS/c11-10(12,13)7-3-1-6(2-4-7)9(16)8-5-17-15-14-8/h1-5H
InChIKeyCSWKLKWCPSUOIB-UHFFFAOYSA-N
XLogP2.79
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone (CID 105095603) is thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1csnn1.
What is the InChIKey of thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is CSWKLKWCPSUOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2OS/c11-10(12,13)7-3-1-6(2-4-7)9(16)8-5-17-15-14-8/h1-5H.
What are the key properties of thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone?
thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 258.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 105095603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).