1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine

C18H24ClN3OS — CID 72879104

IUPAC1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
SMILESClc1ccc2nc(N3CCC(NCC4CCCOC4)CC3)sc2c1
InChIInChI=1S/C18H24ClN3OS/c19-14-3-4-16-17(10-14)24-18(21-16)22-7-5-15(6-8-22)20-11-13-2-1-9-23-12-13/h3-4,10,13,15,20H,1-2,5-9,11-12H2
InChIKeyGJSMFJRQJNCBIL-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.93
Rot. Bonds4

About 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine

1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine (PubChem CID 72879104) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
PubChem CID72879104
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
SMILESClc1ccc2nc(N3CCC(NCC4CCCOC4)CC3)sc2c1
InChIInChI=1S/C18H24ClN3OS/c19-14-3-4-16-17(10-14)24-18(21-16)22-7-5-15(6-8-22)20-11-13-2-1-9-23-12-13/h3-4,10,13,15,20H,1-2,5-9,11-12H2
InChIKeyGJSMFJRQJNCBIL-UHFFFAOYSA-N
XLogP3.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
CID 72903720
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
4-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 2795731
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
CID 174571089
2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91806718

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine (CID 72879104) is 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine is Clc1ccc2nc(N3CCC(NCC4CCCOC4)CC3)sc2c1.
What is the InChIKey of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine?
The InChIKey is GJSMFJRQJNCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c19-14-3-4-16-17(10-14)24-18(21-16)22-7-5-15(6-8-22)20-11-13-2-1-9-23-12-13/h3-4,10,13,15,20H,1-2,5-9,11-12H2.
What are the key properties of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine?
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine has a molecular weight of 365.93 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72879104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).