2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C26H31N5O2S — CID 71168134

IUPAC2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESNOc1ccc2cc(-c3nc4c(s3)CN(CC(=O)N3CCN(C5CCC5)CC3)CC4)ccc2c1
InChIInChI=1S/C26H31N5O2S/c27-33-22-7-6-18-14-20(5-4-19(18)15-22)26-28-23-8-9-29(16-24(23)34-26)17-25(32)31-12-10-30(11-13-31)21-2-1-3-21/h4-7,14-15,21H,1-3,8-13,16-17,27H2
InChIKeyXTCOJQNZPHOAMD-UHFFFAOYSA-N
MW477.63 g/mol
LogP3.27
Rot. Bonds5

About 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 71168134) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID71168134
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC Name2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESNOc1ccc2cc(-c3nc4c(s3)CN(CC(=O)N3CCN(C5CCC5)CC3)CC4)ccc2c1
InChIInChI=1S/C26H31N5O2S/c27-33-22-7-6-18-14-20(5-4-19(18)15-22)26-28-23-8-9-29(16-24(23)34-26)17-25(32)31-12-10-30(11-13-31)21-2-1-3-21/h4-7,14-15,21H,1-3,8-13,16-17,27H2
InChIKeyXTCOJQNZPHOAMD-UHFFFAOYSA-N
XLogP3.27
TPSA74.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420779
4-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzoic acid
CID 68692951
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 57420837
2-[2-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420825
5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 59463571
1-(4-cyclohexylpiperazin-1-yl)-2-[6-(6-methoxynaphthalen-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 57420968
1-(4-cyclobutylpiperazin-1-yl)-2-(5-methoxy-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 58090821
1-(4-cyclobutylpiperazin-1-yl)-2-(5-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 58090861
1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 24751227
1-(4-cyclobutylpiperazin-1-yl)-2-(5-pyrimidin-5-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 58090912
1-(4-cyclobutylpiperazin-1-yl)-2-(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420859
1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one
CID 24803926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 71168134) is 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is NOc1ccc2cc(-c3nc4c(s3)CN(CC(=O)N3CCN(C5CCC5)CC3)CC4)ccc2c1.
What is the InChIKey of 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is XTCOJQNZPHOAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c27-33-22-7-6-18-14-20(5-4-19(18)15-22)26-28-23-8-9-29(16-24(23)34-26)17-25(32)31-12-10-30(11-13-31)21-2-1-3-21/h4-7,14-15,21H,1-3,8-13,16-17,27H2.
What are the key properties of 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 477.63 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-aminooxynaphthalen-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71168134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).