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

C12H11ClN4O2S2 — CID 926616

IUPAC4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN4O2S2/c1-7-14-17-12(21-7)20-6-10(18)15-16-11(19)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyAOFYPQIJYIQSBB-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.05
Rot. Bonds4

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

4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 926616) has the molecular formula C12H11ClN4O2S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID926616
Molecular FormulaC12H11ClN4O2S2
Molecular Weight342.83 g/mol
Exact Mass342.00
IUPAC Name4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN4O2S2/c1-7-14-17-12(21-7)20-6-10(18)15-16-11(19)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyAOFYPQIJYIQSBB-UHFFFAOYSA-N
XLogP2.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-[2-[(5-methyl-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-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'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 7760211
N'-(4-chlorobenzoyl)thiolane-2-carbohydrazide
CID 2744798
4-chloro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425242
4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 4540563
2-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7474318
4-fluoro-N'-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 17545546
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 45649910
4-Fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide
CID 107459118
N'-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}benzohydrazide
CID 672788
4-chloro-N'-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butanoyl]benzohydrazide
CID 2490744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 926616) is 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is AOFYPQIJYIQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S2/c1-7-14-17-12(21-7)20-6-10(18)15-16-11(19)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 342.83 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 926616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).