N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide

C11H10N4OS — CID 172773901

IUPACN-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide
SMILESCc1nnsc1C=NNC(=O)c1ccccc1
InChIInChI=1S/C11H10N4OS/c1-8-10(17-15-13-8)7-12-14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16)
InChIKeyNIDXZZHOEJDLDM-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.61
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide

N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide (PubChem CID 172773901) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide
PubChem CID172773901
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC NameN-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide
SMILESCc1nnsc1C=NNC(=O)c1ccccc1
InChIInChI=1S/C11H10N4OS/c1-8-10(17-15-13-8)7-12-14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16)
InChIKeyNIDXZZHOEJDLDM-UHFFFAOYSA-N
XLogP1.61
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 136663475
N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4055872
[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
CID 50911654
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(Z)-[4-(3-methylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylideneamino]benzamide
CID 135904230
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide (CID 172773901) is N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide is Cc1nnsc1C=NNC(=O)c1ccccc1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide?
The InChIKey is NIDXZZHOEJDLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-8-10(17-15-13-8)7-12-14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16).
What are the key properties of N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide?
N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide has a molecular weight of 246.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 172773901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).