N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide

C11H7F3N4OS — CID 71577409

IUPACN-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1snnc1C(F)(F)F
InChIInChI=1S/C11H7F3N4OS/c12-11(13,14)9-8(20-18-16-9)10(19)17-15-6-7-4-2-1-3-5-7/h1-6H,(H,17,19)/b15-6+
InChIKeyNLUZVPCKAJHXDK-GIDUJCDVSA-N
MW300.26 g/mol
LogP2.32
Rot. Bonds3

About N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide

N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide (PubChem CID 71577409) has the molecular formula C11H7F3N4OS and a molecular weight of 300.26 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
PubChem CID71577409
Molecular FormulaC11H7F3N4OS
Molecular Weight300.26 g/mol
Exact Mass300.03
IUPAC NameN-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1snnc1C(F)(F)F
InChIInChI=1S/C11H7F3N4OS/c12-11(13,14)9-8(20-18-16-9)10(19)17-15-6-7-4-2-1-3-5-7/h1-6H,(H,17,19)/b15-6+
InChIKeyNLUZVPCKAJHXDK-GIDUJCDVSA-N
XLogP2.32
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.32
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-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide (CID 71577409) is N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide is O=C(N/N=C/c1ccccc1)c1snnc1C(F)(F)F.
What is the InChIKey of N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is NLUZVPCKAJHXDK-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H7F3N4OS/c12-11(13,14)9-8(20-18-16-9)10(19)17-15-6-7-4-2-1-3-5-7/h1-6H,(H,17,19)/b15-6+.
What are the key properties of N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 300.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 71577409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).