N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

C17H25N3S — CID 66354267

IUPACN-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C17H25N3S/c1-17(2,3)18-12-13-8-10-20(11-9-13)16-14-6-4-5-7-15(14)19-21-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyNMOGUYCJWAEKNS-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.90
Rot. Bonds3

About N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66354267) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66354267
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C17H25N3S/c1-17(2,3)18-12-13-8-10-20(11-9-13)16-14-6-4-5-7-15(14)19-21-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyNMOGUYCJWAEKNS-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 66354267) is N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(c2snc3ccccc23)CC1.
What is the InChIKey of N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NMOGUYCJWAEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-17(2,3)18-12-13-8-10-20(11-9-13)16-14-6-4-5-7-15(14)19-21-16/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66354267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).