4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

C14H15NO2S — CID 63091210

IUPAC4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCc1ncc(COc2cccc3c2CCC3O)s1
InChIInChI=1S/C14H15NO2S/c1-9-15-7-10(18-9)8-17-14-4-2-3-11-12(14)5-6-13(11)16/h2-4,7,13,16H,5-6,8H2,1H3
InChIKeySJKKWASZVUITCR-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.01
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 63091210) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID63091210
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCc1ncc(COc2cccc3c2CCC3O)s1
InChIInChI=1S/C14H15NO2S/c1-9-15-7-10(18-9)8-17-14-4-2-3-11-12(14)5-6-13(11)16/h2-4,7,13,16H,5-6,8H2,1H3
InChIKeySJKKWASZVUITCR-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 112641052
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63089486
4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 112650653
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
4-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114484277
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63090516
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 63091210) is 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is Cc1ncc(COc2cccc3c2CCC3O)s1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SJKKWASZVUITCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-15-7-10(18-9)8-17-14-4-2-3-11-12(14)5-6-13(11)16/h2-4,7,13,16H,5-6,8H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 261.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63091210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).