N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C10H9N3OS — CID 569553

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C10H9N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyKGDDBWOFFAWDJA-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.10
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 569553) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID569553
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C10H9N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyKGDDBWOFFAWDJA-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 569553) is N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KGDDBWOFFAWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 219.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 569553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).