N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide

C11H11ClN4OS — CID 2811345

IUPACN'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)c1snnc1C
InChIInChI=1S/C11H11ClN4OS/c1-6-5-8(12)3-4-9(6)14-15-11(17)10-7(2)13-16-18-10/h3-5,14H,1-2H3,(H,15,17)
InChIKeyQUUVZAAUSMJIJD-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.57
Rot. Bonds3

About N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide

N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2811345) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID2811345
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)c1snnc1C
InChIInChI=1S/C11H11ClN4OS/c1-6-5-8(12)3-4-9(6)14-15-11(17)10-7(2)13-16-18-10/h3-5,14H,1-2H3,(H,15,17)
InChIKeyQUUVZAAUSMJIJD-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

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-(3-chloro-2-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850800
N'-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811330
N'-(2,6-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2812886
4-[(Z)-(5-chloroindol-3-ylidene)methyl]-5-(4-methylthiadiazol-5-yl)-1,2-dihydropyrazol-3-one
CID 136193042
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
CID 142383513
N'-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carbohydrazide
CID 2810948
4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
CID 2811203
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 21008220
4-[(5-Chloroindol-3-ylidene)methyl]-5-(4-methylthiadiazol-5-yl)-1,2-dihydropyrazol-3-one
CID 172038794

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide (CID 2811345) is N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide is Cc1cc(Cl)ccc1NNC(=O)c1snnc1C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is QUUVZAAUSMJIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-6-5-8(12)3-4-9(6)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'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(4-chloro-2-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'-(4-chloro-2-methylphenyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2811345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).