2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole

C24H21NS — CID 143493944

IUPAC2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole
SMILESCc1ccc2c(c1)[C@H](c1ccccc1)[C@](C)(c1nc3ccccc3s1)C2
InChIInChI=1S/C24H21NS/c1-16-12-13-18-15-24(2,23-25-20-10-6-7-11-21(20)26-23)22(19(18)14-16)17-8-4-3-5-9-17/h3-14,22H,15H2,1-2H3/t22-,24+/m0/s1
InChIKeyYZDMSCUZVMYJJJ-LADGPHEKSA-N
MW355.51 g/mol
LogP6.25
Rot. Bonds2

About 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole

2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole (PubChem CID 143493944) has the molecular formula C24H21NS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole
PubChem CID143493944
Molecular FormulaC24H21NS
Molecular Weight355.51 g/mol
Exact Mass355.14
IUPAC Name2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole
SMILESCc1ccc2c(c1)[C@H](c1ccccc1)[C@](C)(c1nc3ccccc3s1)C2
InChIInChI=1S/C24H21NS/c1-16-12-13-18-15-24(2,23-25-20-10-6-7-11-21(20)26-23)22(19(18)14-16)17-8-4-3-5-9-17/h3-14,22H,15H2,1-2H3/t22-,24+/m0/s1
InChIKeyYZDMSCUZVMYJJJ-LADGPHEKSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole (CID 143493944) is 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole is Cc1ccc2c(c1)[C@H](c1ccccc1)[C@](C)(c1nc3ccccc3s1)C2.
What is the InChIKey of 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole?
The InChIKey is YZDMSCUZVMYJJJ-LADGPHEKSA-N. The full InChI is InChI=1S/C24H21NS/c1-16-12-13-18-15-24(2,23-25-20-10-6-7-11-21(20)26-23)22(19(18)14-16)17-8-4-3-5-9-17/h3-14,22H,15H2,1-2H3/t22-,24+/m0/s1.
What are the key properties of 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole?
2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole has a molecular weight of 355.51 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2,6-dimethyl-1-phenyl-1,3-dihydroinden-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 143493944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).