N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine

C16H23N3S — CID 47283339

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCC(CNc1nc2ccccc2s1)CN1CCCCC1
InChIInChI=1S/C16H23N3S/c1-13(12-19-9-5-2-6-10-19)11-17-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,18)
InChIKeyWOGKFAKSRTUSDR-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.83
Rot. Bonds5

About N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine

N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 47283339) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
PubChem CID47283339
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCC(CNc1nc2ccccc2s1)CN1CCCCC1
InChIInChI=1S/C16H23N3S/c1-13(12-19-9-5-2-6-10-19)11-17-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,18)
InChIKeyWOGKFAKSRTUSDR-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine (CID 47283339) is N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine is CC(CNc1nc2ccccc2s1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is WOGKFAKSRTUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-13(12-19-9-5-2-6-10-19)11-17-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,18).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 47283339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).