N-(1,3,4-thiadiazol-2-yl)benzamide

C9H7N3OS — CID 569548

IUPACN-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1
InChIInChI=1S/C9H7N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-6H,(H,11,12,13)
InChIKeyRWOUBULBQYRRNL-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.79
Rot. Bonds2

About N-(1,3,4-thiadiazol-2-yl)benzamide

N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 569548) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID569548
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC NameN-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1
InChIInChI=1S/C9H7N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-6H,(H,11,12,13)
InChIKeyRWOUBULBQYRRNL-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)benzamide (CID 569548) is N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RWOUBULBQYRRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-6H,(H,11,12,13).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)benzamide?
N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 205.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 569548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).