6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole

C22H18N2S — CID 10759748

IUPAC6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2c(c1)SC(c1c(-c3ccccc3)[nH]c3ccccc13)N2
InChIInChI=1S/C22H18N2S/c1-14-11-12-18-19(13-14)25-22(24-18)20-16-9-5-6-10-17(16)23-21(20)15-7-3-2-4-8-15/h2-13,22-24H,1H3
InChIKeyGYIDHBDMRSVEKV-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.36
Rot. Bonds2

About 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole

6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 10759748) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
PubChem CID10759748
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC Name6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2c(c1)SC(c1c(-c3ccccc3)[nH]c3ccccc13)N2
InChIInChI=1S/C22H18N2S/c1-14-11-12-18-19(13-14)25-22(24-18)20-16-9-5-6-10-17(16)23-21(20)15-7-3-2-4-8-15/h2-13,22-24H,1H3
InChIKeyGYIDHBDMRSVEKV-UHFFFAOYSA-N
XLogP6.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
11,30-bis(4-methylphenyl)-3,19,22,38-tetrazanonacyclo[29.7.0.02,10.04,9.012,20.013,18.021,29.023,28.032,37]octatriaconta-1(31),2(10),4,6,8,12(20),13,15,17,21(29),23,25,27,32,34,36-hexadecaene
CID 139198359
1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023991
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708
3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole
CID 177469072
(2R)-2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanoic acid
CID 7356870
3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole
CID 10451802
1-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 71505251

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole (CID 10759748) is 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole is Cc1ccc2c(c1)SC(c1c(-c3ccccc3)[nH]c3ccccc13)N2.
What is the InChIKey of 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is GYIDHBDMRSVEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-14-11-12-18-19(13-14)25-22(24-18)20-16-9-5-6-10-17(16)23-21(20)15-7-3-2-4-8-15/h2-13,22-24H,1H3.
What are the key properties of 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole?
6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 342.47 g/mol, XLogP of 6.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 10759748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).