N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

C23H28N6O2S — CID 154584595

IUPACN-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCN(Cc3ccc4c(c3)NC(=O)C3CCCN=C43)CC2)n1
InChIInChI=1S/C23H28N6O2S/c1-2-24-22(31)19-14-32-23(27-19)29-10-8-28(9-11-29)13-15-5-6-16-18(12-15)26-21(30)17-4-3-7-25-20(16)17/h5-6,12,14,17H,2-4,7-11,13H2,1H3,(H,24,31)(H,26,30)
InChIKeyMBOTZLDFLHDLEL-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.37
Rot. Bonds5

About N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 154584595) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID154584595
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC NameN-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCN(Cc3ccc4c(c3)NC(=O)C3CCCN=C43)CC2)n1
InChIInChI=1S/C23H28N6O2S/c1-2-24-22(31)19-14-32-23(27-19)29-10-8-28(9-11-29)13-15-5-6-16-18(12-15)26-21(30)17-4-3-7-25-20(16)17/h5-6,12,14,17H,2-4,7-11,13H2,1H3,(H,24,31)(H,26,30)
InChIKeyMBOTZLDFLHDLEL-UHFFFAOYSA-N
XLogP2.37
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide 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 N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 154584595) is N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(N2CCN(Cc3ccc4c(c3)NC(=O)C3CCCN=C43)CC2)n1.
What is the InChIKey of N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is MBOTZLDFLHDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-2-24-22(31)19-14-32-23(27-19)29-10-8-28(9-11-29)13-15-5-6-16-18(12-15)26-21(30)17-4-3-7-25-20(16)17/h5-6,12,14,17H,2-4,7-11,13H2,1H3,(H,24,31)(H,26,30).
What are the key properties of N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).