N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide

C11H11N5O2S2 — CID 2706587

IUPACN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N5O2S2/c12-10-15-16-11(20-10)19-6-8(17)13-14-9(18)7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,15)(H,13,17)(H,14,18)
InChIKeyUVVHDRLLSRDQAB-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.67
Rot. Bonds4

About N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 2706587) has the molecular formula C11H11N5O2S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID2706587
Molecular FormulaC11H11N5O2S2
Molecular Weight309.38 g/mol
Exact Mass309.04
IUPAC NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N5O2S2/c12-10-15-16-11(20-10)19-6-8(17)13-14-9(18)7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,15)(H,13,17)(H,14,18)
InChIKeyUVVHDRLLSRDQAB-UHFFFAOYSA-N
XLogP0.67
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 9104181
Benzoic acid [4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
CID 135759036
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 7692277
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-3-chlorobenzohydrazide
CID 16310121
N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
CID 482274
N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 2563452
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 7760211
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 2109156
N-(5-imino-1H-tetrazol-4-yl)benzamide
CID 323207
N-(5-Phenyl-1,3,4-thiadiazol-2-YL)benzohydrazide
CID 253149
4-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 41958056
N'-(4-oxo-2-thiazolyl)benzohydrazide
CID 135418773

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 2706587) is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is Nc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1.
What is the InChIKey of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is UVVHDRLLSRDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S2/c12-10-15-16-11(20-10)19-6-8(17)13-14-9(18)7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,15)(H,13,17)(H,14,18).
What are the key properties of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 309.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 2706587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).