1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol

C19H19NO2S2 — CID 127243999

IUPAC1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
SMILESOC(COc1ccc2c(c1)CCC2)CSc1nc2ccccc2s1
InChIInChI=1S/C19H19NO2S2/c21-15(11-22-16-9-8-13-4-3-5-14(13)10-16)12-23-19-20-17-6-1-2-7-18(17)24-19/h1-2,6-10,15,21H,3-5,11-12H2
InChIKeyUJXQITDDOYUGPU-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.32
Rot. Bonds6

About 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol

1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol (PubChem CID 127243999) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
PubChem CID127243999
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
SMILESOC(COc1ccc2c(c1)CCC2)CSc1nc2ccccc2s1
InChIInChI=1S/C19H19NO2S2/c21-15(11-22-16-9-8-13-4-3-5-14(13)10-16)12-23-19-20-17-6-1-2-7-18(17)24-19/h1-2,6-10,15,21H,3-5,11-12H2
InChIKeyUJXQITDDOYUGPU-UHFFFAOYSA-N
XLogP4.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 127243975
[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropyl]azanium chloride
CID 67591781
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2570567
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 7309443
(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)hexan-2-ol
CID 100985330
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
2-amino-5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxypentanoic acid
CID 142014858
1-(1,3-benzothiazol-2-ylsulfanyl)tetradecan-2-ol
CID 66667655
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7865199
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
tris[3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propyl] borate
CID 141352310
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 6945119

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol (CID 127243999) is 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol is OC(COc1ccc2c(c1)CCC2)CSc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The InChIKey is UJXQITDDOYUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c21-15(11-22-16-9-8-13-4-3-5-14(13)10-16)12-23-19-20-17-6-1-2-7-18(17)24-19/h1-2,6-10,15,21H,3-5,11-12H2.
What are the key properties of 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol has a molecular weight of 357.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol is sourced from PubChem (CID 127243999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).