1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol

C14H20N2O2S — CID 3051857

IUPAC1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2sncc12
InChIInChI=1S/C14H20N2O2S/c1-3-10(2)15-7-11(17)9-18-13-5-4-6-14-12(13)8-16-19-14/h4-6,8,10-11,15,17H,3,7,9H2,1-2H3
InChIKeyTYDIKDRXPYYLES-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.42
Rot. Bonds7

About 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol

1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol (PubChem CID 3051857) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
PubChem CID3051857
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2sncc12
InChIInChI=1S/C14H20N2O2S/c1-3-10(2)15-7-11(17)9-18-13-5-4-6-14-12(13)8-16-19-14/h4-6,8,10-11,15,17H,3,7,9H2,1-2H3
InChIKeyTYDIKDRXPYYLES-UHFFFAOYSA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-benzothiazol-4-yloxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 3059641
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol
CID 10830953
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750999
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol (CID 3051857) is 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol is CCC(C)NCC(O)COc1cccc2sncc12.
What is the InChIKey of 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol?
The InChIKey is TYDIKDRXPYYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-10(2)15-7-11(17)9-18-13-5-4-6-14-12(13)8-16-19-14/h4-6,8,10-11,15,17H,3,7,9H2,1-2H3.
What are the key properties of 1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol?
1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 2.42, 7 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-(butan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3051857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).