(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone

C9H4ClFN2OS — CID 105396790

IUPAC(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)c1cc(F)ccc1Cl
InChIInChI=1S/C9H4ClFN2OS/c10-7-2-1-5(11)3-6(7)9(14)8-4-12-13-15-8/h1-4H
InChIKeyHQKFLBFILXOHPB-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.56
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone

(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105396790) has the molecular formula C9H4ClFN2OS and a molecular weight of 242.66 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
PubChem CID105396790
Molecular FormulaC9H4ClFN2OS
Molecular Weight242.66 g/mol
Exact Mass241.97
IUPAC Name(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)c1cc(F)ccc1Cl
InChIInChI=1S/C9H4ClFN2OS/c10-7-2-1-5(11)3-6(7)9(14)8-4-12-13-15-8/h1-4H
InChIKeyHQKFLBFILXOHPB-UHFFFAOYSA-N
XLogP2.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 102622399
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
CID 105396670
(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105396788
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone
CID 105097899
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone
CID 106944362

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone (CID 105396790) is (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone is O=C(c1cnns1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is HQKFLBFILXOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFN2OS/c10-7-2-1-5(11)3-6(7)9(14)8-4-12-13-15-8/h1-4H.
What are the key properties of (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone?
(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 242.66 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105396790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).