N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine

C28H25N7OS — CID 121493969

IUPACN-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc(NCCN6CCOCC6)sc5c4)c23)cc1
InChIInChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
InChIKeyWJOPLUBIUOVUKG-UHFFFAOYSA-N
MW507.62 g/mol
LogP4.99
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine

N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine (PubChem CID 121493969) has the molecular formula C28H25N7OS and a molecular weight of 507.62 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
PubChem CID121493969
Molecular FormulaC28H25N7OS
Molecular Weight507.62 g/mol
Exact Mass507.18
IUPAC NameN-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc(NCCN6CCOCC6)sc5c4)c23)cc1
InChIInChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
InChIKeyWJOPLUBIUOVUKG-UHFFFAOYSA-N
XLogP4.99
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-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

4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11633996
2-(1-(2-morpholinobenzyl)-4-phenyl-1H-imidazol-5-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 45375946
3-[[6-Methyl-2-[[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]amino]quinazolin-4-yl]amino]propan-1-ol
CID 166628956
N-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 44449023
N-(1-morpholin-4-ylpropan-2-yl)-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
CID 134136236
N-(1-morpholin-4-ylpropan-2-yl)-6-(8-thiophen-2-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
CID 134140223
N-(1-morpholin-4-ylpropan-2-yl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
CID 134140620
2-Methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole
CID 134149275
4-[4-(4-fluorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 155546028
(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 155561110
N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 52943263
2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 53239323

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine (CID 121493969) is N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine is c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc(NCCN6CCOCC6)sc5c4)c23)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WJOPLUBIUOVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine?
N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine has a molecular weight of 507.62 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 121493969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).