N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide

C16H12ClN5O3S — CID 24982077

IUPACN'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H12ClN5O3S/c17-12-3-1-11(2-4-12)15-21-22-16(25-15)26-9-13(23)19-20-14(24)10-5-7-18-8-6-10/h1-8H,9H2,(H,19,23)(H,20,24)
InChIKeySFEGLHPXAUSRTL-UHFFFAOYSA-N
MW389.82 g/mol
LogP2.34
Rot. Bonds5

About N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide

N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide (PubChem CID 24982077) has the molecular formula C16H12ClN5O3S and a molecular weight of 389.82 g/mol. Its IUPAC name is N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide
PubChem CID24982077
Molecular FormulaC16H12ClN5O3S
Molecular Weight389.82 g/mol
Exact Mass389.03
IUPAC NameN'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H12ClN5O3S/c17-12-3-1-11(2-4-12)15-21-22-16(25-15)26-9-13(23)19-20-14(24)10-5-7-18-8-6-10/h1-8H,9H2,(H,19,23)(H,20,24)
InChIKeySFEGLHPXAUSRTL-UHFFFAOYSA-N
XLogP2.34
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide (CID 24982077) is N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
The InChIKey is SFEGLHPXAUSRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O3S/c17-12-3-1-11(2-4-12)15-21-22-16(25-15)26-9-13(23)19-20-14(24)10-5-7-18-8-6-10/h1-8H,9H2,(H,19,23)(H,20,24).
What are the key properties of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide has a molecular weight of 389.82 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 24982077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).