1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol

C14H20N2OS — CID 113261488

IUPAC1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H20N2OS/c1-3-6-11(17)9-15-10(2)14-16-12-7-4-5-8-13(12)18-14/h4-5,7-8,10-11,15,17H,3,6,9H2,1-2H3
InChIKeyXNTSILBIXAUIIA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol

1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol (PubChem CID 113261488) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
PubChem CID113261488
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H20N2OS/c1-3-6-11(17)9-15-10(2)14-16-12-7-4-5-8-13(12)18-14/h4-5,7-8,10-11,15,17H,3,6,9H2,1-2H3
InChIKeyXNTSILBIXAUIIA-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-ethylhexan-1-amine
CID 43078478
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
CID 43402097
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
CID 115723090
3-[1-(1,3-benzothiazol-2-yl)ethylamino]-2,2-difluoropropan-1-ol
CID 113463348
2-[1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750790
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol (CID 113261488) is 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol is CCCC(O)CNC(C)c1nc2ccccc2s1.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol?
The InChIKey is XNTSILBIXAUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-6-11(17)9-15-10(2)14-16-12-7-4-5-8-13(12)18-14/h4-5,7-8,10-11,15,17H,3,6,9H2,1-2H3.
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol?
1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol has a molecular weight of 264.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 113261488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).