N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide

C10H7ClN4O2S — CID 45488256

IUPACN'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csnn1)c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN4O2S/c11-7-3-1-6(2-4-7)9(16)13-14-10(17)8-5-18-15-12-8/h1-5H,(H,13,16)(H,14,17)
InChIKeyISGXNGZTDDQPFG-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.27
Rot. Bonds2

About N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide

N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide (PubChem CID 45488256) has the molecular formula C10H7ClN4O2S and a molecular weight of 282.71 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide
PubChem CID45488256
Molecular FormulaC10H7ClN4O2S
Molecular Weight282.71 g/mol
Exact Mass282.00
IUPAC NameN'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csnn1)c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN4O2S/c11-7-3-1-6(2-4-7)9(16)13-14-10(17)8-5-18-15-12-8/h1-5H,(H,13,16)(H,14,17)
InChIKeyISGXNGZTDDQPFG-UHFFFAOYSA-N
XLogP1.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide (CID 45488256) is N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide is O=C(NNC(=O)c1csnn1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide?
The InChIKey is ISGXNGZTDDQPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2S/c11-7-3-1-6(2-4-7)9(16)13-14-10(17)8-5-18-15-12-8/h1-5H,(H,13,16)(H,14,17).
What are the key properties of N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide?
N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide has a molecular weight of 282.71 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)thiadiazole-4-carbohydrazide is sourced from PubChem (CID 45488256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).