2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine

C16H17N3OS — CID 82190405

IUPAC2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
SMILESCC(C)(N)COc1cccc2sc(-c3cccnc3)nc12
InChIInChI=1S/C16H17N3OS/c1-16(2,17)10-20-12-6-3-7-13-14(12)19-15(21-13)11-5-4-8-18-9-11/h3-9H,10,17H2,1-2H3
InChIKeyXMAFXKWFYNBYKI-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine

2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine (PubChem CID 82190405) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
PubChem CID82190405
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
SMILESCC(C)(N)COc1cccc2sc(-c3cccnc3)nc12
InChIInChI=1S/C16H17N3OS/c1-16(2,17)10-20-12-6-3-7-13-14(12)19-15(21-13)11-5-4-8-18-9-11/h3-9H,10,17H2,1-2H3
InChIKeyXMAFXKWFYNBYKI-UHFFFAOYSA-N
XLogP3.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401
2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190144
2-pyridin-3-ylbenzo[e][1,3]benzothiazole
CID 13407323
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331
1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
CID 82190338
4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile
CID 11390945
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
CID 82190371
1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol
CID 82190372
2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole
CID 58480092
5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol
CID 70833296
N-ethyl-N-methyl-4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 126635045
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine (CID 82190405) is 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine is CC(C)(N)COc1cccc2sc(-c3cccnc3)nc12.
What is the InChIKey of 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
The InChIKey is XMAFXKWFYNBYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(2,17)10-20-12-6-3-7-13-14(12)19-15(21-13)11-5-4-8-18-9-11/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine is sourced from PubChem (CID 82190405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).