1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C14H11FN6O2S — CID 90489277

IUPAC1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nncs1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C14H11FN6O2S/c15-8-2-1-3-9-11(8)12(19-18-9)21-5-7(4-10(21)22)13(23)17-14-20-16-6-24-14/h1-3,6-7H,4-5H2,(H,18,19)(H,17,20,23)
InChIKeyNHYBOKXAEDIRLO-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.55
Rot. Bonds3

About 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 90489277) has the molecular formula C14H11FN6O2S and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID90489277
Molecular FormulaC14H11FN6O2S
Molecular Weight346.35 g/mol
Exact Mass346.06
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nncs1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C14H11FN6O2S/c15-8-2-1-3-9-11(8)12(19-18-9)21-5-7(4-10(21)22)13(23)17-14-20-16-6-24-14/h1-3,6-7H,4-5H2,(H,18,19)(H,17,20,23)
InChIKeyNHYBOKXAEDIRLO-UHFFFAOYSA-N
XLogP1.55
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 90489277) is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nncs1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NHYBOKXAEDIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2S/c15-8-2-1-3-9-11(8)12(19-18-9)21-5-7(4-10(21)22)13(23)17-14-20-16-6-24-14/h1-3,6-7H,4-5H2,(H,18,19)(H,17,20,23).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 90489277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).