N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide

C11H12N4OS — CID 45032333

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide
SMILESNc1nnc(CCNC(=O)c2ccccc2)s1
InChIInChI=1S/C11H12N4OS/c12-11-15-14-9(17-11)6-7-13-10(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyNBVXWMJQOBZJPK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide (PubChem CID 45032333) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide
PubChem CID45032333
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide
SMILESNc1nnc(CCNC(=O)c2ccccc2)s1
InChIInChI=1S/C11H12N4OS/c12-11-15-14-9(17-11)6-7-13-10(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyNBVXWMJQOBZJPK-UHFFFAOYSA-N
XLogP1.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide (CID 45032333) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide is Nc1nnc(CCNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
The InChIKey is NBVXWMJQOBZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-11-15-14-9(17-11)6-7-13-10(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 45032333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).