N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

C10H7F3N4OS — CID 65216094

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESNc1ccc(NC(=O)c2cnns2)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)6-3-5(14)1-2-7(6)16-9(18)8-4-15-17-19-8/h1-4H,14H2,(H,16,18)
InChIKeyDIBSYAIEPVLUDR-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.39
Rot. Bonds2

About N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 65216094) has the molecular formula C10H7F3N4OS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID65216094
Molecular FormulaC10H7F3N4OS
Molecular Weight288.25 g/mol
Exact Mass288.03
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESNc1ccc(NC(=O)c2cnns2)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)6-3-5(14)1-2-7(6)16-9(18)8-4-15-17-19-8/h1-4H,14H2,(H,16,18)
InChIKeyDIBSYAIEPVLUDR-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 65216094) is N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is Nc1ccc(NC(=O)c2cnns2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is DIBSYAIEPVLUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4OS/c11-10(12,13)6-3-5(14)1-2-7(6)16-9(18)8-4-15-17-19-8/h1-4H,14H2,(H,16,18).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 288.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65216094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).