1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one

C15H12N2OS — CID 107801156

IUPAC1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc2ncsc2c1
InChIInChI=1S/C15H12N2OS/c18-14-3-1-2-13-11(14)6-7-17(13)10-4-5-12-15(8-10)19-9-16-12/h4-9H,1-3H2
InChIKeyAKTSHUBOVIAOMT-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.61
Rot. Bonds1

About 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one

1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one (PubChem CID 107801156) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
PubChem CID107801156
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc2ncsc2c1
InChIInChI=1S/C15H12N2OS/c18-14-3-1-2-13-11(14)6-7-17(13)10-4-5-12-15(8-10)19-9-16-12/h4-9H,1-3H2
InChIKeyAKTSHUBOVIAOMT-UHFFFAOYSA-N
XLogP3.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
CID 115379070
(2E)-2-(1,3-benzothiazol-6-ylhydrazinylidene)cycloheptan-1-one
CID 58811902
1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032996
5-amino-2-(1,3-benzothiazol-6-yl)-4H-pyrazol-3-one
CID 96599066
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
1-(1,3-benzothiazol-6-yl)-3-ethyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 121248508
1-(1,3-benzothiazol-6-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 107802173
1-(1,3-benzothiazol-6-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 107806439
4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride
CID 154921392
4-(1,3-benzothiazol-6-yl)cyclohexan-1-one
CID 116994056
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
3-(1,3-benzothiazol-6-yl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 107802192

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one (CID 107801156) is 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1ccc2ncsc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is AKTSHUBOVIAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-14-3-1-2-13-11(14)6-7-17(13)10-4-5-12-15(8-10)19-9-16-12/h4-9H,1-3H2.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one?
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 268.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 107801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).