2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole

C54H38N8S — CID 141193536

IUPAC2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole
SMILESc1ccc2c(c1)CNC2c1c(N2CCc3ccccc32)c(-c2[nH]cc3ccccc23)c(-c2cc3ccccc3[nH]2)c2[nH]c(-c3nc4ccccc4s3)c(-c3n[nH]c4ccccc34)c12
InChIInChI=1S/C54H38N8S/c1-5-17-34-32(15-1)28-55-48(34)46-43(40-27-31-14-3-8-20-37(31)57-40)51-44(47(49-35-18-6-2-16-33(35)29-56-49)53(46)62-26-25-30-13-4-11-23-41(30)62)45(50-36-19-7-9-21-38(36)60-61-50)52(59-51)54-58-39-22-10-12-24-42(39)63-54/h1-24,27-28,49,55-57,59H,25-26,29H2,(H,60,61)
InChIKeyILDHCPOVIZMLOQ-UHFFFAOYSA-N
MW831.02 g/mol
LogP13.17
Rot. Bonds6

About 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole

2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole (PubChem CID 141193536) has the molecular formula C54H38N8S and a molecular weight of 831.02 g/mol. Its IUPAC name is 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole
PubChem CID141193536
Molecular FormulaC54H38N8S
Molecular Weight831.02 g/mol
Exact Mass830.29
IUPAC Name2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole
SMILESc1ccc2c(c1)CNC2c1c(N2CCc3ccccc32)c(-c2[nH]cc3ccccc23)c(-c2cc3ccccc3[nH]2)c2[nH]c(-c3nc4ccccc4s3)c(-c3n[nH]c4ccccc34)c12
InChIInChI=1S/C54H38N8S/c1-5-17-34-32(15-1)28-55-48(34)46-43(40-27-31-14-3-8-20-37(31)57-40)51-44(47(49-35-18-6-2-16-33(35)29-56-49)53(46)62-26-25-30-13-4-11-23-41(30)62)45(50-36-19-7-9-21-38(36)60-61-50)52(59-51)54-58-39-22-10-12-24-42(39)63-54/h1-24,27-28,49,55-57,59H,25-26,29H2,(H,60,61)
InChIKeyILDHCPOVIZMLOQ-UHFFFAOYSA-N
XLogP13.17
TPSA104.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.02
LogP ≤ 513.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole 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 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole (CID 141193536) is 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole is c1ccc2c(c1)CNC2c1c(N2CCc3ccccc32)c(-c2[nH]cc3ccccc23)c(-c2cc3ccccc3[nH]2)c2[nH]c(-c3nc4ccccc4s3)c(-c3n[nH]c4ccccc34)c12.
What is the InChIKey of 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole?
The InChIKey is ILDHCPOVIZMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N8S/c1-5-17-34-32(15-1)28-55-48(34)46-43(40-27-31-14-3-8-20-37(31)57-40)51-44(47(49-35-18-6-2-16-33(35)29-56-49)53(46)62-26-25-30-13-4-11-23-41(30)62)45(50-36-19-7-9-21-38(36)60-61-50)52(59-51)54-58-39-22-10-12-24-42(39)63-54/h1-24,27-28,49,55-57,59H,25-26,29H2,(H,60,61).
What are the key properties of 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole?
2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole has a molecular weight of 831.02 g/mol, XLogP of 13.17, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydroindol-1-yl)-4-(2,3-dihydro-1H-isoindol-1-yl)-3-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-1H-indol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 141193536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).