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

C15H12N2S — CID 43196878

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)CC(c1nc3ccccc3s1)N2
InChIInChI=1S/C15H12N2S/c1-2-6-11-10(5-1)9-13(16-11)15-17-12-7-3-4-8-14(12)18-15/h1-8,13,16H,9H2
InChIKeyQNLJXHNJECJZNA-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.01
Rot. Bonds1

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

2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole (PubChem CID 43196878) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
PubChem CID43196878
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)CC(c1nc3ccccc3s1)N2
InChIInChI=1S/C15H12N2S/c1-2-6-11-10(5-1)9-13(16-11)15-17-12-7-3-4-8-14(12)18-15/h1-8,13,16H,9H2
InChIKeyQNLJXHNJECJZNA-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
CID 129361833
bis[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 47087499
(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
6-(1,3-benzothiazol-2-yl)morpholin-2-amine
CID 175499040
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956
6-(2,3-dihydro-1H-indol-2-yl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114351952
6-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 79128855
5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 43305030
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole (CID 43196878) is 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole is c1ccc2c(c1)CC(c1nc3ccccc3s1)N2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole?
The InChIKey is QNLJXHNJECJZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-6-11-10(5-1)9-13(16-11)15-17-12-7-3-4-8-14(12)18-15/h1-8,13,16H,9H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole?
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole has a molecular weight of 252.34 g/mol, XLogP of 4.01, 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-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 43196878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).