N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide

C11H6ClF3N4OS — CID 86575302

IUPACN-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1snnc1C(F)(F)F
InChIInChI=1S/C11H6ClF3N4OS/c12-7-3-1-6(2-4-7)5-16-18-10(20)8-9(11(13,14)15)17-19-21-8/h1-5H,(H,18,20)
InChIKeyHMNZLLWIOWIOIF-UHFFFAOYSA-N
MW334.71 g/mol
LogP2.97
Rot. Bonds3

About N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide

N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide (PubChem CID 86575302) has the molecular formula C11H6ClF3N4OS and a molecular weight of 334.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
PubChem CID86575302
Molecular FormulaC11H6ClF3N4OS
Molecular Weight334.71 g/mol
Exact Mass333.99
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1snnc1C(F)(F)F
InChIInChI=1S/C11H6ClF3N4OS/c12-7-3-1-6(2-4-7)5-16-18-10(20)8-9(11(13,14)15)17-19-21-8/h1-5H,(H,18,20)
InChIKeyHMNZLLWIOWIOIF-UHFFFAOYSA-N
XLogP2.97
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 52.97
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-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide (CID 86575302) is N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide is O=C(NN=Cc1ccc(Cl)cc1)c1snnc1C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is HMNZLLWIOWIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N4OS/c12-7-3-1-6(2-4-7)5-16-18-10(20)8-9(11(13,14)15)17-19-21-8/h1-5H,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 334.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 86575302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).