2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine

C14H13N3OS — CID 82190401

IUPAC2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
SMILESNCCOc1cccc2sc(-c3cccnc3)nc12
InChIInChI=1S/C14H13N3OS/c15-6-8-18-11-4-1-5-12-13(11)17-14(19-12)10-3-2-7-16-9-10/h1-5,7,9H,6,8,15H2
InChIKeyRMWXWCZNUFYYEW-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.70
Rot. Bonds4

About 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine

2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine (PubChem CID 82190401) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
PubChem CID82190401
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
SMILESNCCOc1cccc2sc(-c3cccnc3)nc12
InChIInChI=1S/C14H13N3OS/c15-6-8-18-11-4-1-5-12-13(11)17-14(19-12)10-3-2-7-16-9-10/h1-5,7,9H,6,8,15H2
InChIKeyRMWXWCZNUFYYEW-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190405
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331
2-pyridin-3-ylbenzo[e][1,3]benzothiazole
CID 13407323
2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190222
2-quinolin-8-yloxyethanamine
CID 17174906
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
CID 82190338
4-[[2-(2,2-dimethylpropyl)-1,3-benzothiazol-4-yl]oxy]butan-1-amine
CID 82190317
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550
4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190245

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The IUPAC name of 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine (CID 82190401) is 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The canonical SMILES for 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine is NCCOc1cccc2sc(-c3cccnc3)nc12.
What is the InChIKey of 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The InChIKey is RMWXWCZNUFYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-6-8-18-11-4-1-5-12-13(11)17-14(19-12)10-3-2-7-16-9-10/h1-5,7,9H,6,8,15H2.
What are the key properties of 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine?
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine has a molecular weight of 271.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine is sourced from PubChem (CID 82190401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).