2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine

C16H17N3OS — CID 82190090

IUPAC2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
SMILESCC(C)(N)COc1ccc2nc(-c3ccncc3)sc2c1
InChIInChI=1S/C16H17N3OS/c1-16(2,17)10-20-12-3-4-13-14(9-12)21-15(19-13)11-5-7-18-8-6-11/h3-9H,10,17H2,1-2H3
InChIKeyNRLOMHDDYFBSKI-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine

2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine (PubChem CID 82190090) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
PubChem CID82190090
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
SMILESCC(C)(N)COc1ccc2nc(-c3ccncc3)sc2c1
InChIInChI=1S/C16H17N3OS/c1-16(2,17)10-20-12-3-4-13-14(9-12)21-15(19-13)11-5-7-18-8-6-11/h3-9H,10,17H2,1-2H3
InChIKeyNRLOMHDDYFBSKI-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine (CID 82190090) is 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine is CC(C)(N)COc1ccc2nc(-c3ccncc3)sc2c1.
What is the InChIKey of 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine?
The InChIKey is NRLOMHDDYFBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(2,17)10-20-12-3-4-13-14(9-12)21-15(19-13)11-5-7-18-8-6-11/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine?
2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-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-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine is sourced from PubChem (CID 82190090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).