1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol

C20H21N3O2S — CID 2811446

IUPAC1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
SMILESOC(CNC1CCc2ccccc21)COc1ccc(-c2csnn2)cc1
InChIInChI=1S/C20H21N3O2S/c24-16(11-21-19-10-7-14-3-1-2-4-18(14)19)12-25-17-8-5-15(6-9-17)20-13-26-23-22-20/h1-6,8-9,13,16,19,21,24H,7,10-12H2
InChIKeyWLAXKSFFYDRQED-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.22
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol

1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol (PubChem CID 2811446) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
PubChem CID2811446
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
SMILESOC(CNC1CCc2ccccc21)COc1ccc(-c2csnn2)cc1
InChIInChI=1S/C20H21N3O2S/c24-16(11-21-19-10-7-14-3-1-2-4-18(14)19)12-25-17-8-5-15(6-9-17)20-13-26-23-22-20/h1-6,8-9,13,16,19,21,24H,7,10-12H2
InChIKeyWLAXKSFFYDRQED-UHFFFAOYSA-N
XLogP3.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
CID 2520495
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
CID 2740135
(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
CID 7189418
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 14751068
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729065
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
1-[4-[(2R)-3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 40730913
3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol
CID 91072068
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol (CID 2811446) is 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol is OC(CNC1CCc2ccccc21)COc1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
The InChIKey is WLAXKSFFYDRQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-16(11-21-19-10-7-14-3-1-2-4-18(14)19)12-25-17-8-5-15(6-9-17)20-13-26-23-22-20/h1-6,8-9,13,16,19,21,24H,7,10-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol has a molecular weight of 367.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 2811446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).