2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole

C16H14N2S — CID 43305005

IUPAC2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3ccc4c(c3)CCN4)nc2c1
InChIInChI=1S/C16H14N2S/c1-10-2-5-15-14(8-10)18-16(19-15)12-3-4-13-11(9-12)6-7-17-13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyNNAQKIDVKJRKMG-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.24
Rot. Bonds1

About 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole

2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole (PubChem CID 43305005) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole
PubChem CID43305005
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3ccc4c(c3)CCN4)nc2c1
InChIInChI=1S/C16H14N2S/c1-10-2-5-15-14(8-10)18-16(19-15)12-3-4-13-11(9-12)6-7-17-13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyNNAQKIDVKJRKMG-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole (CID 43305005) is 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole is Cc1ccc2sc(-c3ccc4c(c3)CCN4)nc2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole?
The InChIKey is NNAQKIDVKJRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-10-2-5-15-14(8-10)18-16(19-15)12-3-4-13-11(9-12)6-7-17-13/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole?
2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole has a molecular weight of 266.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 43305005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).