2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole

C22H14N4S — CID 130439672

IUPAC2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3ccc4nc(-c5ccc6cn[nH]c6c5)sc4c3)cc2c1
InChIInChI=1S/C22H14N4S/c1-2-4-17-13(3-1)9-19(24-17)14-7-8-18-21(11-14)27-22(25-18)15-5-6-16-12-23-26-20(16)10-15/h1-12,24H,(H,23,26)
InChIKeyXKXFHEOVYDCDMV-UHFFFAOYSA-N
MW366.45 g/mol
LogP5.99
Rot. Bonds2

About 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole

2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole (PubChem CID 130439672) has the molecular formula C22H14N4S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
PubChem CID130439672
Molecular FormulaC22H14N4S
Molecular Weight366.45 g/mol
Exact Mass366.09
IUPAC Name2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3ccc4nc(-c5ccc6cn[nH]c6c5)sc4c3)cc2c1
InChIInChI=1S/C22H14N4S/c1-2-4-17-13(3-1)9-19(24-17)14-7-8-18-21(11-14)27-22(25-18)15-5-6-16-12-23-26-20(16)10-15/h1-12,24H,(H,23,26)
InChIKeyXKXFHEOVYDCDMV-UHFFFAOYSA-N
XLogP5.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole (CID 130439672) is 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole is c1ccc2[nH]c(-c3ccc4nc(-c5ccc6cn[nH]c6c5)sc4c3)cc2c1.
What is the InChIKey of 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
The InChIKey is XKXFHEOVYDCDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4S/c1-2-4-17-13(3-1)9-19(24-17)14-7-8-18-21(11-14)27-22(25-18)15-5-6-16-12-23-26-20(16)10-15/h1-12,24H,(H,23,26).
What are the key properties of 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole has a molecular weight of 366.45 g/mol, XLogP of 5.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 130439672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).