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

C27H25N7OS2 — CID 134140223

IUPACN-(1-morpholin-4-ylpropan-2-yl)-6-(8-thiophen-2-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
SMILESCC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6cccs6)cc5c43)cc2s1
InChIInChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)
InChIKeyBIPRHBIWZRMDCA-UHFFFAOYSA-N
MW527.68 g/mol
LogP5.44
Rot. Bonds6

About 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

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 (PubChem CID 134140223) has the molecular formula C27H25N7OS2 and a molecular weight of 527.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-6-(8-thiophen-2-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
PubChem CID134140223
Molecular FormulaC27H25N7OS2
Molecular Weight527.68 g/mol
Exact Mass527.16
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-6-(8-thiophen-2-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
SMILESCC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6cccs6)cc5c43)cc2s1
InChIInChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)
InChIKeyBIPRHBIWZRMDCA-UHFFFAOYSA-N
XLogP5.44
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.68
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 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-[2-(Morpholin-4-Yl)ethyl]-6-(8-Phenyl-1h-Imidazo[4,5-C][1,7]naphthyridin-1-Yl)-1,3-Benzothiazol-2-Amine
CID 121493969
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-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
(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
3-(2-methoxyethylamino)-N-[3-[4-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;trihydrochloride
CID 140876844
3-(2-methoxyethylamino)-N-[3-[4-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 155562056
N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
CID 155566138
2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 53239323
US10214519, Example 265
CID 134371945
1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-thiophen-2-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one
CID 134132669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6cccs6)cc5c43)cc2s1.
What is the InChIKey of 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?
The InChIKey is BIPRHBIWZRMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 527.68 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134140223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).