N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide

C14H13FN4O2S — CID 75390098

IUPACN-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2csnn2)C1c1ccc(F)cc1
InChIInChI=1S/C14H13FN4O2S/c1-19-12(20)6-10(16-14(21)11-7-22-18-17-11)13(19)8-2-4-9(15)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,16,21)
InChIKeyHVIDPPOITZJBHA-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.38
Rot. Bonds3

About N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide

N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide (PubChem CID 75390098) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
PubChem CID75390098
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC NameN-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2csnn2)C1c1ccc(F)cc1
InChIInChI=1S/C14H13FN4O2S/c1-19-12(20)6-10(16-14(21)11-7-22-18-17-11)13(19)8-2-4-9(15)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,16,21)
InChIKeyHVIDPPOITZJBHA-UHFFFAOYSA-N
XLogP1.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide (CID 75390098) is N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide is CN1C(=O)CC(NC(=O)c2csnn2)C1c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The InChIKey is HVIDPPOITZJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-19-12(20)6-10(16-14(21)11-7-22-18-17-11)13(19)8-2-4-9(15)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,16,21).
What are the key properties of N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 75390098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).