N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine

C22H23Cl2N3O2S — CID 57273865

IUPACN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine
SMILESCN(CC1CCN(c2nc3ccccc3s2)CC1)C1COc2c(ccc(Cl)c2Cl)O1
InChIInChI=1S/C22H23Cl2N3O2S/c1-26(19-13-28-21-17(29-19)7-6-15(23)20(21)24)12-14-8-10-27(11-9-14)22-25-16-4-2-3-5-18(16)30-22/h2-7,14,19H,8-13H2,1H3
InChIKeyNUXQBWACNQYHRT-UHFFFAOYSA-N
MW464.42 g/mol
LogP5.55
Rot. Bonds4

About N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine (PubChem CID 57273865) has the molecular formula C22H23Cl2N3O2S and a molecular weight of 464.42 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine
PubChem CID57273865
Molecular FormulaC22H23Cl2N3O2S
Molecular Weight464.42 g/mol
Exact Mass463.09
IUPAC NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine
SMILESCN(CC1CCN(c2nc3ccccc3s2)CC1)C1COc2c(ccc(Cl)c2Cl)O1
InChIInChI=1S/C22H23Cl2N3O2S/c1-26(19-13-28-21-17(29-19)7-6-15(23)20(21)24)12-14-8-10-27(11-9-14)22-25-16-4-2-3-5-18(16)30-22/h2-7,14,19H,8-13H2,1H3
InChIKeyNUXQBWACNQYHRT-UHFFFAOYSA-N
XLogP5.55
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 67887697
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-[(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]methanamine;dihydrochloride
CID 67883293
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]methanamine
CID 67883019
N,N-bis(1-benzofuran-2-ylmethyl)-1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methanamine
CID 57184007
1-[(3S)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400681
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172881655
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678883
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 121107925
4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338553
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine?
The IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine (CID 57273865) is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine.
What is the SMILES notation for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine?
The canonical SMILES for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine is CN(CC1CCN(c2nc3ccccc3s2)CC1)C1COc2c(ccc(Cl)c2Cl)O1.
What is the InChIKey of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine?
The InChIKey is NUXQBWACNQYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2S/c1-26(19-13-28-21-17(29-19)7-6-15(23)20(21)24)12-14-8-10-27(11-9-14)22-25-16-4-2-3-5-18(16)30-22/h2-7,14,19H,8-13H2,1H3.
What are the key properties of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine?
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine has a molecular weight of 464.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5,6-dichloro-N-methyl-2,3-dihydro-1,4-benzodioxin-2-amine is sourced from PubChem (CID 57273865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).