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

C8H9N3OS — CID 174996359

IUPACN-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC#CCCc1nnc(NC(C)=O)s1
InChIInChI=1S/C8H9N3OS/c1-3-4-5-7-10-11-8(13-7)9-6(2)12/h1H,4-5H2,2H3,(H,9,11,12)
InChIKeyJICANBQJEHNORJ-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.06
Rot. Bonds3

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

N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 174996359) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID174996359
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC#CCCc1nnc(NC(C)=O)s1
InChIInChI=1S/C8H9N3OS/c1-3-4-5-7-10-11-8(13-7)9-6(2)12/h1H,4-5H2,2H3,(H,9,11,12)
InChIKeyJICANBQJEHNORJ-UHFFFAOYSA-N
XLogP1.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-[5-[2-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl-nitroamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2016945
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 118621023
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
CID 144633513
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 75465114
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
N-[5-[3-[(4-fluorophenyl)sulfanylamino]propyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 155357266
3-hydroxy-N-[5-[4-[5-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-(hydroxymethyl)-2-methylpropanamide
CID 74982484

Frequently Asked Questions

What is the IUPAC name of N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide (CID 174996359) is N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide is C#CCCc1nnc(NC(C)=O)s1.
What is the InChIKey of N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JICANBQJEHNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-3-4-5-7-10-11-8(13-7)9-6(2)12/h1H,4-5H2,2H3,(H,9,11,12).
What are the key properties of N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 195.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 174996359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).