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

C16H19NO2S — CID 63090516

IUPAC4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCCCc1nc(COc2cccc3c2CCC3O)cs1
InChIInChI=1S/C16H19NO2S/c1-2-4-16-17-11(10-20-16)9-19-15-6-3-5-12-13(15)7-8-14(12)18/h3,5-6,10,14,18H,2,4,7-9H2,1H3
InChIKeyKYGRMOXRFBRGMR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.65
Rot. Bonds5

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

4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 63090516) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID63090516
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCCCc1nc(COc2cccc3c2CCC3O)cs1
InChIInChI=1S/C16H19NO2S/c1-2-4-16-17-11(10-20-16)9-19-15-6-3-5-12-13(15)7-8-14(12)18/h3,5-6,10,14,18H,2,4,7-9H2,1H3
InChIKeyKYGRMOXRFBRGMR-UHFFFAOYSA-N
XLogP3.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 41320125
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 112641052
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091210
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63089486
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 63090516) is 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is CCCc1nc(COc2cccc3c2CCC3O)cs1.
What is the InChIKey of 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KYGRMOXRFBRGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-4-16-17-11(10-20-16)9-19-15-6-3-5-12-13(15)7-8-14(12)18/h3,5-6,10,14,18H,2,4,7-9H2,1H3.
What are the key properties of 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 289.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63090516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).