N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide

C13H13FN4O2S — CID 166314091

IUPACN-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC1CCN(CCF)C1=O)c1ccc2nsnc2c1
InChIInChI=1S/C13H13FN4O2S/c14-4-6-18-5-3-10(13(18)20)15-12(19)8-1-2-9-11(7-8)17-21-16-9/h1-2,7,10H,3-6H2,(H,15,19)
InChIKeyLSNZAHAEWOXUID-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.99
Rot. Bonds4

About N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 166314091) has the molecular formula C13H13FN4O2S and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID166314091
Molecular FormulaC13H13FN4O2S
Molecular Weight308.34 g/mol
Exact Mass308.07
IUPAC NameN-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC1CCN(CCF)C1=O)c1ccc2nsnc2c1
InChIInChI=1S/C13H13FN4O2S/c14-4-6-18-5-3-10(13(18)20)15-12(19)8-1-2-9-11(7-8)17-21-16-9/h1-2,7,10H,3-6H2,(H,15,19)
InChIKeyLSNZAHAEWOXUID-UHFFFAOYSA-N
XLogP0.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 166314091) is N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NC1CCN(CCF)C1=O)c1ccc2nsnc2c1.
What is the InChIKey of N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is LSNZAHAEWOXUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S/c14-4-6-18-5-3-10(13(18)20)15-12(19)8-1-2-9-11(7-8)17-21-16-9/h1-2,7,10H,3-6H2,(H,15,19).
What are the key properties of N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 166314091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).