1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride

C20H23ClN2O2S — CID 14750999

IUPAC1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCc2ccccc2C1)COc1cccc2sncc12
InChIInChI=1S/C20H22N2O2S.ClH/c23-17(13-24-19-6-3-7-20-18(19)12-22-25-20)11-21-16-9-8-14-4-1-2-5-15(14)10-16;/h1-7,12,16-17,21,23H,8-11,13H2;1H
InChIKeyGNFLSKBDUYCBKN-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.60
Rot. Bonds6

About 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride

1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 14750999) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
PubChem CID14750999
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCc2ccccc2C1)COc1cccc2sncc12
InChIInChI=1S/C20H22N2O2S.ClH/c23-17(13-24-19-6-3-7-20-18(19)12-22-25-20)11-21-16-9-8-14-4-1-2-5-15(14)10-16;/h1-7,12,16-17,21,23H,8-11,13H2;1H
InChIKeyGNFLSKBDUYCBKN-UHFFFAOYSA-N
XLogP3.60
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 14750994
1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14751001
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
CID 3051857
1-(1,2-benzothiazol-4-yloxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 3059641
6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 14751073
1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107852038
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 62305455
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride (CID 14750999) is 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride is Cl.OC(CNC1CCc2ccccc2C1)COc1cccc2sncc12.
What is the InChIKey of 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is GNFLSKBDUYCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S.ClH/c23-17(13-24-19-6-3-7-20-18(19)12-22-25-20)11-21-16-9-8-14-4-1-2-5-15(14)10-16;/h1-7,12,16-17,21,23H,8-11,13H2;1H.
What are the key properties of 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 14750999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).