6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine

C22H24ClN3O2S — CID 14048988

IUPAC6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCN(CC4COc5ccccc5O4)CC3)sc2c1
InChIInChI=1S/C22H24ClN3O2S/c23-16-5-6-18-21(11-16)29-22(25-18)24-12-15-7-9-26(10-8-15)13-17-14-27-19-3-1-2-4-20(19)28-17/h1-6,11,15,17H,7-10,12-14H2,(H,24,25)
InChIKeyVOZDKPMZJKUSMD-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.91
Rot. Bonds5

About 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine

6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 14048988) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine
PubChem CID14048988
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCN(CC4COc5ccccc5O4)CC3)sc2c1
InChIInChI=1S/C22H24ClN3O2S/c23-16-5-6-18-21(11-16)29-22(25-18)24-12-15-7-9-26(10-8-15)13-17-14-27-19-3-1-2-4-20(19)28-17/h1-6,11,15,17H,7-10,12-14H2,(H,24,25)
InChIKeyVOZDKPMZJKUSMD-UHFFFAOYSA-N
XLogP4.91
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-5,6,7-trimethoxy-1,3-benzothiazol-2-amine
CID 14048996
N-[[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine;dihydrobromide
CID 14049046
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
(E)-but-2-enedioic acid;N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-5,6,7-trimethoxy-1,3-benzothiazol-2-amine
CID 86742980
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580
2-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]-1,3-benzothiazole
CID 7436023
5-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]benzimidazole
CID 110168140
N-[[1-[[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 54180480
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 55170009
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine (CID 14048988) is 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCC3CCN(CC4COc5ccccc5O4)CC3)sc2c1.
What is the InChIKey of 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is VOZDKPMZJKUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c23-16-5-6-18-21(11-16)29-22(25-18)24-12-15-7-9-26(10-8-15)13-17-14-27-19-3-1-2-4-20(19)28-17/h1-6,11,15,17H,7-10,12-14H2,(H,24,25).
What are the key properties of 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 429.97 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 14048988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).