N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide

C10H8Cl2N4OS — CID 2812886

IUPACN'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N4OS/c1-5-9(18-16-13-5)10(17)15-14-8-6(11)3-2-4-7(8)12/h2-4,14H,1H3,(H,15,17)
InChIKeyPSMQDNGIUXIPQH-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.91
Rot. Bonds3

About N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide

N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2812886) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID2812886
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC NameN'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N4OS/c1-5-9(18-16-13-5)10(17)15-14-8-6(11)3-2-4-7(8)12/h2-4,14H,1H3,(H,15,17)
InChIKeyPSMQDNGIUXIPQH-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.91
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'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide (CID 2812886) is N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is PSMQDNGIUXIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c1-5-9(18-16-13-5)10(17)15-14-8-6(11)3-2-4-7(8)12/h2-4,14H,1H3,(H,15,17).
What are the key properties of N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 303.17 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2812886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).