N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

C11H8Cl2N4OS — CID 4055872

IUPACN-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N4OS/c1-6-10(19-17-15-6)11(18)16-14-5-7-8(12)3-2-4-9(7)13/h2-5H,1H3,(H,16,18)
InChIKeyKWZNENJJTGGILW-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.92
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 4055872) has the molecular formula C11H8Cl2N4OS and a molecular weight of 315.19 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID4055872
Molecular FormulaC11H8Cl2N4OS
Molecular Weight315.19 g/mol
Exact Mass313.98
IUPAC NameN-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N4OS/c1-6-10(19-17-15-6)11(18)16-14-5-7-8(12)3-2-4-9(7)13/h2-5H,1H3,(H,16,18)
InChIKeyKWZNENJJTGGILW-UHFFFAOYSA-N
XLogP2.92
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.92
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-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
4-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiadiazole-5-carboxamide
CID 5403819
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 136663475
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
CID 146025236
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6000143
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 6161327
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (CID 4055872) is N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is KWZNENJJTGGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4OS/c1-6-10(19-17-15-6)11(18)16-14-5-7-8(12)3-2-4-9(7)13/h2-5H,1H3,(H,16,18).
What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 4055872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).