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

C18H16ClN5O2S2 — CID 2080590

IUPACN'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide
SMILESO=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN5O2S2/c19-14-8-6-13(7-9-14)16(26)22-21-15(25)11-27-18-24-23-17(28-18)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23)(H,21,25)(H,22,26)
InChIKeyYAWKBGAAGLSZHJ-UHFFFAOYSA-N
MW433.95 g/mol
LogP3.36
Rot. Bonds7

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

N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide (PubChem CID 2080590) has the molecular formula C18H16ClN5O2S2 and a molecular weight of 433.95 g/mol. Its IUPAC name is N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide
PubChem CID2080590
Molecular FormulaC18H16ClN5O2S2
Molecular Weight433.95 g/mol
Exact Mass433.04
IUPAC NameN'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide
SMILESO=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN5O2S2/c19-14-8-6-13(7-9-14)16(26)22-21-15(25)11-27-18-24-23-17(28-18)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23)(H,21,25)(H,22,26)
InChIKeyYAWKBGAAGLSZHJ-UHFFFAOYSA-N
XLogP3.36
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 53.36
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-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide 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

4-chloro-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
CID 3320545
N-(5-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 4390766
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 5157299
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 7946867
4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 15945077
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 40833444
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 44454498
2-chloro-N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 4826972
4-chloro-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 2469787
2-chloro-N-[3-oxo-3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 4826879
1-(4-chlorobenzoyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 4827145
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 7760211

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide (CID 2080590) is N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide is O=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide?
The InChIKey is YAWKBGAAGLSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S2/c19-14-8-6-13(7-9-14)16(26)22-21-15(25)11-27-18-24-23-17(28-18)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23)(H,21,25)(H,22,26).
What are the key properties of N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide?
N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide has a molecular weight of 433.95 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 2080590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).