N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide

C12H14N4OS — CID 2811990

IUPACN'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1snnc1C
InChIInChI=1S/C12H14N4OS/c1-3-9-6-4-5-7-10(9)14-15-12(17)11-8(2)13-16-18-11/h4-7,14H,3H2,1-2H3,(H,15,17)
InChIKeyLVMVFDQQVFLNRZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.17
Rot. Bonds4

About N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide

N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2811990) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID2811990
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1snnc1C
InChIInChI=1S/C12H14N4OS/c1-3-9-6-4-5-7-10(9)14-15-12(17)11-8(2)13-16-18-11/h4-7,14H,3H2,1-2H3,(H,15,17)
InChIKeyLVMVFDQQVFLNRZ-UHFFFAOYSA-N
XLogP2.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.17
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-methylphenyl)-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-1-hydrazinecarboxamide
CID 1472456
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'-(4-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2812575
N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-(trifluoromethyl)benzohydrazide
CID 2813446
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
4-methyl-N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]benzenesulfonohydrazide
CID 1491449
N'-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811330
N'-[4-(tert-butyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2813088
4-[(Z)-indol-3-ylidenemethyl]-5-(4-methylthiadiazol-5-yl)-1,2-dihydropyrazol-3-one
CID 136193040
4-methyl-N-(2-(trifluoromethyl)phenyl)-1,2,3-thiadiazole-5-carboxamide
CID 7293419
N-(2-benzylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 7293432

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide (CID 2811990) is N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide is CCc1ccccc1NNC(=O)c1snnc1C.
What is the InChIKey of N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is LVMVFDQQVFLNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-9-6-4-5-7-10(9)14-15-12(17)11-8(2)13-16-18-11/h4-7,14H,3H2,1-2H3,(H,15,17).
What are the key properties of N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 262.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2811990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).