N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide

C12H11FN4OS — CID 44722831

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1snnc1C)c1ccc(F)cc1
InChIInChI=1S/C12H11FN4OS/c1-7(9-3-5-10(13)6-4-9)14-16-12(18)11-8(2)15-17-19-11/h3-6H,1-2H3,(H,16,18)/b14-7-
InChIKeyAVUZECLDJJPBHW-AUWJEWJLSA-N
MW278.31 g/mol
LogP2.14
Rot. Bonds3

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 44722831) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID44722831
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1snnc1C)c1ccc(F)cc1
InChIInChI=1S/C12H11FN4OS/c1-7(9-3-5-10(13)6-4-9)14-16-12(18)11-8(2)15-17-19-11/h3-6H,1-2H3,(H,16,18)/b14-7-
InChIKeyAVUZECLDJJPBHW-AUWJEWJLSA-N
XLogP2.14
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.14
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-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide (CID 44722831) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide is C/C(=N/NC(=O)c1snnc1C)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AVUZECLDJJPBHW-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H11FN4OS/c1-7(9-3-5-10(13)6-4-9)14-16-12(18)11-8(2)15-17-19-11/h3-6H,1-2H3,(H,16,18)/b14-7-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 44722831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).