N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

C11H8ClFN4OS — CID 3304640

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C11H8ClFN4OS/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)
InChIKeyGZQIPOFUTVFJSY-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.40
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 3304640) has the molecular formula C11H8ClFN4OS and a molecular weight of 298.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID3304640
Molecular FormulaC11H8ClFN4OS
Molecular Weight298.73 g/mol
Exact Mass298.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C11H8ClFN4OS/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)
InChIKeyGZQIPOFUTVFJSY-UHFFFAOYSA-N
XLogP2.40
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (CID 3304640) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NN=Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is GZQIPOFUTVFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4OS/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-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 3304640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).