N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine

C21H24ClN3S — CID 174571089

IUPACN-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C21H24ClN3S/c1-2-24(15-16-6-4-3-5-7-16)18-10-12-25(13-11-18)21-23-19-9-8-17(22)14-20(19)26-21/h3-9,14,18H,2,10-13,15H2,1H3
InChIKeyGKZUPTJJFNMBMS-UHFFFAOYSA-N
MW385.96 g/mol
LogP5.44
Rot. Bonds5

About N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine

N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine (PubChem CID 174571089) has the molecular formula C21H24ClN3S and a molecular weight of 385.96 g/mol. Its IUPAC name is N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
PubChem CID174571089
Molecular FormulaC21H24ClN3S
Molecular Weight385.96 g/mol
Exact Mass385.14
IUPAC NameN-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C21H24ClN3S/c1-2-24(15-16-6-4-3-5-7-16)18-10-12-25(13-11-18)21-23-19-9-8-17(22)14-20(19)26-21/h3-9,14,18H,2,10-13,15H2,1H3
InChIKeyGKZUPTJJFNMBMS-UHFFFAOYSA-N
XLogP5.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[[[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]amino]methyl]phenyl]acetate;methyl 2-[3-[[[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-ethylamino]methyl]phenyl]acetate
CID 157373743
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
2-[3-[[1-[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]ethylamino]methyl]phenyl]acetic acid
CID 66658365
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
6-chloro-2-[4-(6-chloro-2-ethylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108777459
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
CID 72903720
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
1-(6-chloro-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4609437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine?
The IUPAC name of N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine (CID 174571089) is N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine?
The canonical SMILES for N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine is CCN(Cc1ccccc1)C1CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine?
The InChIKey is GKZUPTJJFNMBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3S/c1-2-24(15-16-6-4-3-5-7-16)18-10-12-25(13-11-18)21-23-19-9-8-17(22)14-20(19)26-21/h3-9,14,18H,2,10-13,15H2,1H3.
What are the key properties of N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine?
N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine has a molecular weight of 385.96 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 174571089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).