N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide

C9H8N4OS — CID 19289

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C9H8N4OS/c1-6(14)11-9-13-12-8(15-9)7-2-4-10-5-3-7/h2-5H,1H3,(H,11,13,14)
InChIKeySKPUYTVKMWBTBK-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.56
Rot. Bonds2

About N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19289) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19289
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C9H8N4OS/c1-6(14)11-9-13-12-8(15-9)7-2-4-10-5-3-7/h2-5H,1H3,(H,11,13,14)
InChIKeySKPUYTVKMWBTBK-UHFFFAOYSA-N
XLogP1.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 19289) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SKPUYTVKMWBTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-6(14)11-9-13-12-8(15-9)7-2-4-10-5-3-7/h2-5H,1H3,(H,11,13,14).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 220.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).