2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide

C6H11N5OS2 — CID 63580902

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide
SMILESCCC(Sc1nnc(N)s1)C(=O)NN
InChIInChI=1S/C6H11N5OS2/c1-2-3(4(12)9-8)13-6-11-10-5(7)14-6/h3H,2,8H2,1H3,(H2,7,10)(H,9,12)
InChIKeyYFZIDBTWHQSEJC-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide (PubChem CID 63580902) has the molecular formula C6H11N5OS2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide
PubChem CID63580902
Molecular FormulaC6H11N5OS2
Molecular Weight233.32 g/mol
Exact Mass233.04
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide
SMILESCCC(Sc1nnc(N)s1)C(=O)NN
InChIInChI=1S/C6H11N5OS2/c1-2-3(4(12)9-8)13-6-11-10-5(7)14-6/h3H,2,8H2,1H3,(H2,7,10)(H,9,12)
InChIKeyYFZIDBTWHQSEJC-UHFFFAOYSA-N
XLogP-0.02
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide
CID 23914415
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide
CID 23857909
methyl (2R)-2-[[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoyl]amino]-3-benzylsulfanylpropanoate
CID 2229142
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 2235319
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 25043706
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)propanamide
CID 43112283
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2235339
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 45134919
ethyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylpropanoate
CID 7245320
propyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 19199985
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 29378697
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide
CID 9160750

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide (CID 63580902) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide is CCC(Sc1nnc(N)s1)C(=O)NN.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide?
The InChIKey is YFZIDBTWHQSEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS2/c1-2-3(4(12)9-8)13-6-11-10-5(7)14-6/h3H,2,8H2,1H3,(H2,7,10)(H,9,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide has a molecular weight of 233.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide is sourced from PubChem (CID 63580902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).