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

C16H23N3S — CID 81345475

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)C(C)C1)c1nc2ccccc2s1
InChIInChI=1S/C16H23N3S/c1-11-10-13(8-9-19(11)3)17-12(2)16-18-14-6-4-5-7-15(14)20-16/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyYBQFMMKPVLAUGI-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.43
Rot. Bonds3

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

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81345475) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81345475
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)C(C)C1)c1nc2ccccc2s1
InChIInChI=1S/C16H23N3S/c1-11-10-13(8-9-19(11)3)17-12(2)16-18-14-6-4-5-7-15(14)20-16/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyYBQFMMKPVLAUGI-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 115897391
4-[1-(1,3-benzothiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054809
1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 63897986
1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 115879382
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
3-[1-[(1,2-dimethylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 81342944
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 79144680
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43181788
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
2-[(1S)-1-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 51869364

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine (CID 81345475) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine is CC(NC1CCN(C)C(C)C1)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is YBQFMMKPVLAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-10-13(8-9-19(11)3)17-12(2)16-18-14-6-4-5-7-15(14)20-16/h4-7,11-13,17H,8-10H2,1-3H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81345475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).