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

C15H21N3S — CID 103989880

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCN1CCC(C)(CNc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H21N3S/c1-15(7-9-18(2)10-8-15)11-16-14-17-12-5-3-4-6-13(12)19-14/h3-6H,7-11H2,1-2H3,(H,16,17)
InChIKeyUCWFQFJSTGXHBP-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.44
Rot. Bonds3

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

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 103989880) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID103989880
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCN1CCC(C)(CNc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H21N3S/c1-15(7-9-18(2)10-8-15)11-16-14-17-12-5-3-4-6-13(12)19-14/h3-6H,7-11H2,1-2H3,(H,16,17)
InChIKeyUCWFQFJSTGXHBP-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 103989880) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine is CN1CCC(C)(CNc2nc3ccccc3s2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is UCWFQFJSTGXHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(7-9-18(2)10-8-15)11-16-14-17-12-5-3-4-6-13(12)19-14/h3-6H,7-11H2,1-2H3,(H,16,17).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103989880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).