phenyl(thiadiazol-5-yl)methanone

C9H6N2OS — CID 2748700

IUPACphenyl(thiadiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1cnns1
InChIInChI=1S/C9H6N2OS/c12-9(8-6-10-11-13-8)7-4-2-1-3-5-7/h1-6H
InChIKeyFIJIUNSPHSGRPC-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.77
Rot. Bonds2

About phenyl(thiadiazol-5-yl)methanone

phenyl(thiadiazol-5-yl)methanone (PubChem CID 2748700) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is phenyl(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl(thiadiazol-5-yl)methanone
PubChem CID2748700
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Namephenyl(thiadiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1cnns1
InChIInChI=1S/C9H6N2OS/c12-9(8-6-10-11-13-8)7-4-2-1-3-5-7/h1-6H
InChIKeyFIJIUNSPHSGRPC-UHFFFAOYSA-N
XLogP1.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl(thiadiazol-5-yl)methanone?
The IUPAC name of phenyl(thiadiazol-5-yl)methanone (CID 2748700) is phenyl(thiadiazol-5-yl)methanone.
What is the SMILES notation for phenyl(thiadiazol-5-yl)methanone?
The canonical SMILES for phenyl(thiadiazol-5-yl)methanone is O=C(c1ccccc1)c1cnns1.
What is the InChIKey of phenyl(thiadiazol-5-yl)methanone?
The InChIKey is FIJIUNSPHSGRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c12-9(8-6-10-11-13-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of phenyl(thiadiazol-5-yl)methanone?
phenyl(thiadiazol-5-yl)methanone has a molecular weight of 190.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(thiadiazol-5-yl)methanone is sourced from PubChem (CID 2748700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).