4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide

C13H9ClN4OS2 — CID 2746733

IUPAC4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2cccs2)ns1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN4OS2/c14-9-5-3-8(4-6-9)12(19)16-17-13-15-11(18-21-13)10-2-1-7-20-10/h1-7H,(H,16,19)(H,15,17,18)
InChIKeyZFQVZYRNKXDEMC-UHFFFAOYSA-N
MW336.83 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide

4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide (PubChem CID 2746733) has the molecular formula C13H9ClN4OS2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide
PubChem CID2746733
Molecular FormulaC13H9ClN4OS2
Molecular Weight336.83 g/mol
Exact Mass335.99
IUPAC Name4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2cccs2)ns1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN4OS2/c14-9-5-3-8(4-6-9)12(19)16-17-13-15-11(18-21-13)10-2-1-7-20-10/h1-7H,(H,16,19)(H,15,17,18)
InChIKeyZFQVZYRNKXDEMC-UHFFFAOYSA-N
XLogP3.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide (CID 2746733) is 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide is O=C(NNc1nc(-c2cccs2)ns1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide?
The InChIKey is ZFQVZYRNKXDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS2/c14-9-5-3-8(4-6-9)12(19)16-17-13-15-11(18-21-13)10-2-1-7-20-10/h1-7H,(H,16,19)(H,15,17,18).
What are the key properties of 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide?
4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide has a molecular weight of 336.83 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzohydrazide is sourced from PubChem (CID 2746733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).