N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide

C11H11ClN4OS — CID 2811330

IUPACN'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1ccc(NNC(=O)c2snnc2C)cc1Cl
InChIInChI=1S/C11H11ClN4OS/c1-6-3-4-8(5-9(6)12)14-15-11(17)10-7(2)13-16-18-10/h3-5,14H,1-2H3,(H,15,17)
InChIKeyZXJJSYWGUPAQNT-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.57
Rot. Bonds3

About N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide

N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2811330) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID2811330
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1ccc(NNC(=O)c2snnc2C)cc1Cl
InChIInChI=1S/C11H11ClN4OS/c1-6-3-4-8(5-9(6)12)14-15-11(17)10-7(2)13-16-18-10/h3-5,14H,1-2H3,(H,15,17)
InChIKeyZXJJSYWGUPAQNT-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.57
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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Related Compounds

Tiadinil
CID 2804318
N'-(4-chloro-2-methylphenyl)-4-methyl-5-thiadiazolecarbohydrazide
CID 2811345
N'-(4-isopropylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811458
N'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
N'-(4-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2812575
N'-[(2-chlorophenyl)methylene]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 9583505
N-(3-chloro-2-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850800
N'-(2,6-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2812886
N'-[4-(tert-butyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2813088
N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 2805294
N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
CID 135153523
N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
CID 142383526

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide (CID 2811330) is N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide is Cc1ccc(NNC(=O)c2snnc2C)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is ZXJJSYWGUPAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-6-3-4-8(5-9(6)12)14-15-11(17)10-7(2)13-16-18-10/h3-5,14H,1-2H3,(H,15,17).
What are the key properties of N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 282.76 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2811330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).