N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide

C10H9ClN4OS — CID 2812575

IUPACN'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4OS/c1-6-9(17-15-12-6)10(16)14-13-8-4-2-7(11)3-5-8/h2-5,13H,1H3,(H,14,16)
InChIKeyTWITYFFCXUSMPR-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.26
Rot. Bonds3

About N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide

N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2812575) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID2812575
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC NameN'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4OS/c1-6-9(17-15-12-6)10(16)14-13-8-4-2-7(11)3-5-8/h2-5,13H,1H3,(H,14,16)
InChIKeyTWITYFFCXUSMPR-UHFFFAOYSA-N
XLogP2.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.26
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-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide (CID 2812575) is N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is TWITYFFCXUSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-6-9(17-15-12-6)10(16)14-13-8-4-2-7(11)3-5-8/h2-5,13H,1H3,(H,14,16).
What are the key properties of N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 268.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2812575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).