2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone

C18H15NOS — CID 79826120

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)C1Cc2ccccc2C1
InChIInChI=1S/C18H15NOS/c20-16(14-9-12-5-1-2-6-13(12)10-14)11-18-19-15-7-3-4-8-17(15)21-18/h1-8,14H,9-11H2
InChIKeyQZNFFHNJOYVOGG-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.82
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone (PubChem CID 79826120) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
PubChem CID79826120
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)C1Cc2ccccc2C1
InChIInChI=1S/C18H15NOS/c20-16(14-9-12-5-1-2-6-13(12)10-14)11-18-19-15-7-3-4-8-17(15)21-18/h1-8,14H,9-11H2
InChIKeyQZNFFHNJOYVOGG-UHFFFAOYSA-N
XLogP3.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115386024
2-(1,3-benzothiazol-2-yl)-1-(1,1-dioxothian-2-yl)ethanone
CID 104520090
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 43512900
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284
(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094
4-(1,3-benzothiazol-2-yl)but-2-enoic acid
CID 79819074
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
1,3-benzothiazol-2-ylmethyl cyclobutanecarboxylate
CID 78760113
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone (CID 79826120) is 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone is O=C(Cc1nc2ccccc2s1)C1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
The InChIKey is QZNFFHNJOYVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-16(14-9-12-5-1-2-6-13(12)10-14)11-18-19-15-7-3-4-8-17(15)21-18/h1-8,14H,9-11H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone has a molecular weight of 293.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone is sourced from PubChem (CID 79826120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).