1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone

C27H25N3O2S2 — CID 126629275

IUPAC1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone
SMILESO=C(Cc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1
InChIInChI=1S/C27H25N3O2S2/c31-23(16-25-29-22-8-9-24-26(27(22)34-25)28-17-33-24)20-5-4-19-15-21(7-6-18(19)14-20)32-13-12-30-10-2-1-3-11-30/h4-9,14-15,17H,1-3,10-13,16H2
InChIKeyMABVMXRPJGPTHK-UHFFFAOYSA-N
MW487.65 g/mol
LogP6.35
Rot. Bonds7

About 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone

1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone (PubChem CID 126629275) has the molecular formula C27H25N3O2S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone
PubChem CID126629275
Molecular FormulaC27H25N3O2S2
Molecular Weight487.65 g/mol
Exact Mass487.14
IUPAC Name1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone
SMILESO=C(Cc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1
InChIInChI=1S/C27H25N3O2S2/c31-23(16-25-29-22-8-9-24-26(27(22)34-25)28-17-33-24)20-5-4-19-15-21(7-6-18(19)14-20)32-13-12-30-10-2-1-3-11-30/h4-9,14-15,17H,1-3,10-13,16H2
InChIKeyMABVMXRPJGPTHK-UHFFFAOYSA-N
XLogP6.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone 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

1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
CID 160744162
[5-amino-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-triazol-1-yl]-(1,3-benzothiazol-6-yl)methanone
CID 66929578
4-methylidene-3-[3-(2-morpholin-4-ylethoxy)but-2-enylidene]-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 123658385
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
CID 58514078
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 21469300
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone?
The IUPAC name of 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone (CID 126629275) is 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone is O=C(Cc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1.
What is the InChIKey of 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone?
The InChIKey is MABVMXRPJGPTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S2/c31-23(16-25-29-22-8-9-24-26(27(22)34-25)28-17-33-24)20-5-4-19-15-21(7-6-18(19)14-20)32-13-12-30-10-2-1-3-11-30/h4-9,14-15,17H,1-3,10-13,16H2.
What are the key properties of 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone?
1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone has a molecular weight of 487.65 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-2-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone is sourced from PubChem (CID 126629275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).