(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone

C9H4F2N2OS — CID 105095106

IUPAC(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cnns1
InChIInChI=1S/C9H4F2N2OS/c10-6-1-5(2-7(11)3-6)9(14)8-4-12-13-15-8/h1-4H
InChIKeyKDYAHMQWGBCPCD-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.05
Rot. Bonds2

About (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone

(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105095106) has the molecular formula C9H4F2N2OS and a molecular weight of 226.21 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone
PubChem CID105095106
Molecular FormulaC9H4F2N2OS
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Name(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cnns1
InChIInChI=1S/C9H4F2N2OS/c10-6-1-5(2-7(11)3-6)9(14)8-4-12-13-15-8/h1-4H
InChIKeyKDYAHMQWGBCPCD-UHFFFAOYSA-N
XLogP2.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone (CID 105095106) is (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone is O=C(c1cc(F)cc(F)c1)c1cnns1.
What is the InChIKey of (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is KDYAHMQWGBCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N2OS/c10-6-1-5(2-7(11)3-6)9(14)8-4-12-13-15-8/h1-4H.
What are the key properties of (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone?
(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 226.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105095106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).