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

C16H13N3OS — CID 816787

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)17-16-19-18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20)
InChIKeyJFKSRRAIOBTMMQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.38
Rot. Bonds4

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 816787) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID816787
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)17-16-19-18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20)
InChIKeyJFKSRRAIOBTMMQ-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide (CID 816787) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JFKSRRAIOBTMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)17-16-19-18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 816787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).