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

C27H25N7O2S2 — CID 134132669

IUPAC1-[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
SMILESCC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4c(=O)[nH]c5cnc(-c6cccs6)cc5c43)cc2s1
InChIInChI=1S/C27H25N7O2S2/c1-16(14-33-6-8-36-9-7-33)30-27-32-19-5-4-17(11-23(19)38-27)34-15-29-24-25(34)18-12-20(22-3-2-10-37-22)28-13-21(18)31-26(24)35/h2-5,10-13,15-16H,6-9,14H2,1H3,(H,30,32)(H,31,35)
InChIKeyHHZVPIUIEXLTPI-UHFFFAOYSA-N
MW543.68 g/mol
LogP4.73
Rot. Bonds6

About 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

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 (PubChem CID 134132669) has the molecular formula C27H25N7O2S2 and a molecular weight of 543.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID134132669
Molecular FormulaC27H25N7O2S2
Molecular Weight543.68 g/mol
Exact Mass543.15
IUPAC Name1-[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
SMILESCC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4c(=O)[nH]c5cnc(-c6cccs6)cc5c43)cc2s1
InChIInChI=1S/C27H25N7O2S2/c1-16(14-33-6-8-36-9-7-33)30-27-32-19-5-4-17(11-23(19)38-27)34-15-29-24-25(34)18-12-20(22-3-2-10-37-22)28-13-21(18)31-26(24)35/h2-5,10-13,15-16H,6-9,14H2,1H3,(H,30,32)(H,31,35)
InChIKeyHHZVPIUIEXLTPI-UHFFFAOYSA-N
XLogP4.73
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.68
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4c(=O)[nH]c5cnc(-c6cccs6)cc5c43)cc2s1.
What is the InChIKey of 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?
The InChIKey is HHZVPIUIEXLTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2S2/c1-16(14-33-6-8-36-9-7-33)30-27-32-19-5-4-17(11-23(19)38-27)34-15-29-24-25(34)18-12-20(22-3-2-10-37-22)28-13-21(18)31-26(24)35/h2-5,10-13,15-16H,6-9,14H2,1H3,(H,30,32)(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 543.68 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134132669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).