5-benzyl-1,3,4-thiadiazole-2-carboxamide

C10H9N3OS — CID 173135650

IUPAC5-benzyl-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nnc(Cc2ccccc2)s1
InChIInChI=1S/C10H9N3OS/c11-9(14)10-13-12-8(15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKeyUFRSDNPFMDKCFR-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.23
Rot. Bonds3

About 5-benzyl-1,3,4-thiadiazole-2-carboxamide

5-benzyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 173135650) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-benzyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID173135650
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-benzyl-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nnc(Cc2ccccc2)s1
InChIInChI=1S/C10H9N3OS/c11-9(14)10-13-12-8(15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKeyUFRSDNPFMDKCFR-UHFFFAOYSA-N
XLogP1.23
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
(5-benzyl-1,3,4-thiadiazol-2-yl)sulfamic acid
CID 174221650
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 18075084
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-1,3,4-thiadiazole-2-carboxamide (CID 173135650) is 5-benzyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-1,3,4-thiadiazole-2-carboxamide is NC(=O)c1nnc(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UFRSDNPFMDKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-9(14)10-13-12-8(15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14).
What are the key properties of 5-benzyl-1,3,4-thiadiazole-2-carboxamide?
5-benzyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 173135650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).