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

C14H20N2OS — CID 115723090

IUPAC3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H20N2OS/c1-3-11(8-9-17)15-10(2)14-16-12-6-4-5-7-13(12)18-14/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyRNEKHGWLADWHCS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.11
Rot. Bonds6

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

3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol (PubChem CID 115723090) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
PubChem CID115723090
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H20N2OS/c1-3-11(8-9-17)15-10(2)14-16-12-6-4-5-7-13(12)18-14/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyRNEKHGWLADWHCS-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]-1-methylsulfanylpropan-2-amine
CID 115721848
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43177919
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
CID 43231791
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-ethylhexan-1-amine
CID 43078478
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202107
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81374029
1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
CID 113261488
2-[1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750790
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol (CID 115723090) is 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol is CCC(CCO)NC(C)c1nc2ccccc2s1.
What is the InChIKey of 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol?
The InChIKey is RNEKHGWLADWHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-11(8-9-17)15-10(2)14-16-12-6-4-5-7-13(12)18-14/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol?
3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-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 3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 115723090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).