N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide

C6H9N5OS2 — CID 172909172

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
SMILESCCc1nnc(NC(=O)C(=S)NN)s1
InChIInChI=1S/C6H9N5OS2/c1-2-3-10-11-6(14-3)8-4(12)5(13)9-7/h2,7H2,1H3,(H,9,13)(H,8,11,12)
InChIKeyPPKBFRPWXXOPSG-UHFFFAOYSA-N
MW231.31 g/mol
LogP-0.17
Rot. Bonds2

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide (PubChem CID 172909172) has the molecular formula C6H9N5OS2 and a molecular weight of 231.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
PubChem CID172909172
Molecular FormulaC6H9N5OS2
Molecular Weight231.31 g/mol
Exact Mass231.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
SMILESCCc1nnc(NC(=O)C(=S)NN)s1
InChIInChI=1S/C6H9N5OS2/c1-2-3-10-11-6(14-3)8-4(12)5(13)9-7/h2,7H2,1H3,(H,9,13)(H,8,11,12)
InChIKeyPPKBFRPWXXOPSG-UHFFFAOYSA-N
XLogP-0.17
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47205516
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 107641923
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733154

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide (CID 172909172) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide is CCc1nnc(NC(=O)C(=S)NN)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide?
The InChIKey is PPKBFRPWXXOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5OS2/c1-2-3-10-11-6(14-3)8-4(12)5(13)9-7/h2,7H2,1H3,(H,9,13)(H,8,11,12).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide has a molecular weight of 231.31 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide is sourced from PubChem (CID 172909172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).