(4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one

C22H22N4O2S — CID 118396488

IUPAC(4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCc1nc2cc(-c3ccc4c(cnn4C)c3)cc(O[C@H](C)[C@H]3CNC(=O)C3)c2s1
InChIInChI=1S/C22H22N4O2S/c1-12(16-9-21(27)23-10-16)28-20-8-15(7-18-22(20)29-13(2)25-18)14-4-5-19-17(6-14)11-24-26(19)3/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,27)/t12-,16-/m1/s1
InChIKeyGUDCZKJNYLTULU-MLGOLLRUSA-N
MW406.51 g/mol
LogP4.06
Rot. Bonds4

About (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 118396488) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID118396488
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name(4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCc1nc2cc(-c3ccc4c(cnn4C)c3)cc(O[C@H](C)[C@H]3CNC(=O)C3)c2s1
InChIInChI=1S/C22H22N4O2S/c1-12(16-9-21(27)23-10-16)28-20-8-15(7-18-22(20)29-13(2)25-18)14-4-5-19-17(6-14)11-24-26(19)3/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,27)/t12-,16-/m1/s1
InChIKeyGUDCZKJNYLTULU-MLGOLLRUSA-N
XLogP4.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one (CID 118396488) is (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one is Cc1nc2cc(-c3ccc4c(cnn4C)c3)cc(O[C@H](C)[C@H]3CNC(=O)C3)c2s1.
What is the InChIKey of (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is GUDCZKJNYLTULU-MLGOLLRUSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-12(16-9-21(27)23-10-16)28-20-8-15(7-18-22(20)29-13(2)25-18)14-4-5-19-17(6-14)11-24-26(19)3/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,27)/t12-,16-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 406.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[2-methyl-5-(1-methylindazol-5-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 118396488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).