4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol

C13H13NO2S — CID 112641052

IUPAC4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCc3cncs3)cccc21
InChIInChI=1S/C13H13NO2S/c15-12-5-4-11-10(12)2-1-3-13(11)16-7-9-6-14-8-17-9/h1-3,6,8,12,15H,4-5,7H2
InChIKeyDRJSMFRIWZIJAU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.70
Rot. Bonds3

About 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol

4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 112641052) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID112641052
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCc3cncs3)cccc21
InChIInChI=1S/C13H13NO2S/c15-12-5-4-11-10(12)2-1-3-13(11)16-7-9-6-14-8-17-9/h1-3,6,8,12,15H,4-5,7H2
InChIKeyDRJSMFRIWZIJAU-UHFFFAOYSA-N
XLogP2.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-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

4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091210
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63089486
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 112650653
4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63090516
5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 66152504
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
4-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114484277

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol (CID 112641052) is 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(OCc3cncs3)cccc21.
What is the InChIKey of 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DRJSMFRIWZIJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-12-5-4-11-10(12)2-1-3-13(11)16-7-9-6-14-8-17-9/h1-3,6,8,12,15H,4-5,7H2.
What are the key properties of 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol?
4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 247.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 112641052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).