N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C12H11FN4OS — CID 82176926

IUPACN-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESNc1ccc(F)c(-c2nnc(NC(=O)C3CC3)s2)c1
InChIInChI=1S/C12H11FN4OS/c13-9-4-3-7(14)5-8(9)11-16-17-12(19-11)15-10(18)6-1-2-6/h3-6H,1-2,14H2,(H,15,17,18)
InChIKeyNMSWWSHPKJRARF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.27
Rot. Bonds3

About N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 82176926) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID82176926
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC NameN-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESNc1ccc(F)c(-c2nnc(NC(=O)C3CC3)s2)c1
InChIInChI=1S/C12H11FN4OS/c13-9-4-3-7(14)5-8(9)11-16-17-12(19-11)15-10(18)6-1-2-6/h3-6H,1-2,14H2,(H,15,17,18)
InChIKeyNMSWWSHPKJRARF-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.27
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-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 82176926) is N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is Nc1ccc(F)c(-c2nnc(NC(=O)C3CC3)s2)c1.
What is the InChIKey of N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is NMSWWSHPKJRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c13-9-4-3-7(14)5-8(9)11-16-17-12(19-11)15-10(18)6-1-2-6/h3-6H,1-2,14H2,(H,15,17,18).
What are the key properties of N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 82176926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).