N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C19H14FN5O2S — CID 90489279

IUPACN-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C19H14FN5O2S/c20-11-4-3-6-13-16(11)17(24-23-13)25-9-10(8-15(25)26)18(27)22-19-21-12-5-1-2-7-14(12)28-19/h1-7,10H,8-9H2,(H,23,24)(H,21,22,27)
InChIKeyJNJCNAVGQKVFDN-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.30
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489279) has the molecular formula C19H14FN5O2S and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489279
Molecular FormulaC19H14FN5O2S
Molecular Weight395.42 g/mol
Exact Mass395.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C19H14FN5O2S/c20-11-4-3-6-13-16(11)17(24-23-13)25-9-10(8-15(25)26)18(27)22-19-21-12-5-1-2-7-14(12)28-19/h1-7,10H,8-9H2,(H,23,24)(H,21,22,27)
InChIKeyJNJCNAVGQKVFDN-UHFFFAOYSA-N
XLogP3.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489279) is N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JNJCNAVGQKVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2S/c20-11-4-3-6-13-16(11)17(24-23-13)25-9-10(8-15(25)26)18(27)22-19-21-12-5-1-2-7-14(12)28-19/h1-7,10H,8-9H2,(H,23,24)(H,21,22,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).