benzamide;1,3,4-thiadiazole

C9H9N3OS — CID 175189831

IUPACbenzamide;1,3,4-thiadiazole
SMILESNC(=O)c1ccccc1.c1nncs1
InChIInChI=1S/C7H7NO.C2H2N2S/c8-7(9)6-4-2-1-3-5-6;1-3-4-2-5-1/h1-5H,(H2,8,9);1-2H
InChIKeyULHMDKJAUPFSHG-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.32
Rot. Bonds1

About benzamide;1,3,4-thiadiazole

benzamide;1,3,4-thiadiazole (PubChem CID 175189831) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is benzamide;1,3,4-thiadiazole.

Molecular Properties

Compound Namebenzamide;1,3,4-thiadiazole
PubChem CID175189831
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Namebenzamide;1,3,4-thiadiazole
SMILESNC(=O)c1ccccc1.c1nncs1
InChIInChI=1S/C7H7NO.C2H2N2S/c8-7(9)6-4-2-1-3-5-6;1-3-4-2-5-1/h1-5H,(H2,8,9);1-2H
InChIKeyULHMDKJAUPFSHG-UHFFFAOYSA-N
XLogP1.32
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzamide;1,3,4-thiadiazole?
The IUPAC name of benzamide;1,3,4-thiadiazole (CID 175189831) is benzamide;1,3,4-thiadiazole.
What is the SMILES notation for benzamide;1,3,4-thiadiazole?
The canonical SMILES for benzamide;1,3,4-thiadiazole is NC(=O)c1ccccc1.c1nncs1.
What is the InChIKey of benzamide;1,3,4-thiadiazole?
The InChIKey is ULHMDKJAUPFSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H2N2S/c8-7(9)6-4-2-1-3-5-6;1-3-4-2-5-1/h1-5H,(H2,8,9);1-2H.
What are the key properties of benzamide;1,3,4-thiadiazole?
benzamide;1,3,4-thiadiazole has a molecular weight of 207.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;1,3,4-thiadiazole is sourced from PubChem (CID 175189831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).