(3-fluorophenyl)-(thiadiazol-5-yl)methanone

C9H5FN2OS — CID 105079760

IUPAC(3-fluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cccc(F)c1)c1cnns1
InChIInChI=1S/C9H5FN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-11-12-14-8/h1-5H
InChIKeyMCUWUKILNFBXJV-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.91
Rot. Bonds2

About (3-fluorophenyl)-(thiadiazol-5-yl)methanone

(3-fluorophenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105079760) has the molecular formula C9H5FN2OS and a molecular weight of 208.22 g/mol. Its IUPAC name is (3-fluorophenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(thiadiazol-5-yl)methanone
PubChem CID105079760
Molecular FormulaC9H5FN2OS
Molecular Weight208.22 g/mol
Exact Mass208.01
IUPAC Name(3-fluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cccc(F)c1)c1cnns1
InChIInChI=1S/C9H5FN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-11-12-14-8/h1-5H
InChIKeyMCUWUKILNFBXJV-UHFFFAOYSA-N
XLogP1.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(thiadiazol-5-yl)methanone (CID 105079760) is (3-fluorophenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(thiadiazol-5-yl)methanone is O=C(c1cccc(F)c1)c1cnns1.
What is the InChIKey of (3-fluorophenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is MCUWUKILNFBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-11-12-14-8/h1-5H.
What are the key properties of (3-fluorophenyl)-(thiadiazol-5-yl)methanone?
(3-fluorophenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 208.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105079760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).