1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine

C16H17N3S — CID 79818939

IUPAC1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
SMILESCNC(Cc1ccccn1)Cc1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-17-13(10-12-6-4-5-9-18-12)11-16-19-14-7-2-3-8-15(14)20-16/h2-9,13,17H,10-11H2,1H3
InChIKeyNDHDLNQFOGLDCR-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.06
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine

1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 79818939) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
PubChem CID79818939
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
SMILESCNC(Cc1ccccn1)Cc1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-17-13(10-12-6-4-5-9-18-12)11-16-19-14-7-2-3-8-15(14)20-16/h2-9,13,17H,10-11H2,1H3
InChIKeyNDHDLNQFOGLDCR-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181
1-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105169666
1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79819432
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722
2-[2-(pyrimidin-2-ylmethyl)hexyl]-1,3-benzothiazole
CID 57032536
2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79818452
[1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214676
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
2-(2-chloro-4-methylpentyl)-1,3-benzothiazole
CID 66461954

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine (CID 79818939) is 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine is CNC(Cc1ccccn1)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is NDHDLNQFOGLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-17-13(10-12-6-4-5-9-18-12)11-16-19-14-7-2-3-8-15(14)20-16/h2-9,13,17H,10-11H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine?
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 79818939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).