N'-acetylthiadiazole-4-carbohydrazide

C5H6N4O2S — CID 130694446

IUPACN'-acetylthiadiazole-4-carbohydrazide
SMILESCC(=O)NNC(=O)c1csnn1
InChIInChI=1S/C5H6N4O2S/c1-3(10)6-8-5(11)4-2-12-9-7-4/h2H,1H3,(H,6,10)(H,8,11)
InChIKeyUNCODEYHLACWSQ-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.68
Rot. Bonds1

About N'-acetylthiadiazole-4-carbohydrazide

N'-acetylthiadiazole-4-carbohydrazide (PubChem CID 130694446) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is N'-acetylthiadiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-acetylthiadiazole-4-carbohydrazide
PubChem CID130694446
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC NameN'-acetylthiadiazole-4-carbohydrazide
SMILESCC(=O)NNC(=O)c1csnn1
InChIInChI=1S/C5H6N4O2S/c1-3(10)6-8-5(11)4-2-12-9-7-4/h2H,1H3,(H,6,10)(H,8,11)
InChIKeyUNCODEYHLACWSQ-UHFFFAOYSA-N
XLogP-0.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-acetylthiadiazole-4-carbohydrazide?
The IUPAC name of N'-acetylthiadiazole-4-carbohydrazide (CID 130694446) is N'-acetylthiadiazole-4-carbohydrazide.
What is the SMILES notation for N'-acetylthiadiazole-4-carbohydrazide?
The canonical SMILES for N'-acetylthiadiazole-4-carbohydrazide is CC(=O)NNC(=O)c1csnn1.
What is the InChIKey of N'-acetylthiadiazole-4-carbohydrazide?
The InChIKey is UNCODEYHLACWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c1-3(10)6-8-5(11)4-2-12-9-7-4/h2H,1H3,(H,6,10)(H,8,11).
What are the key properties of N'-acetylthiadiazole-4-carbohydrazide?
N'-acetylthiadiazole-4-carbohydrazide has a molecular weight of 186.20 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetylthiadiazole-4-carbohydrazide is sourced from PubChem (CID 130694446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).