2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C26H24N6O2S — CID 108729096

IUPAC2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3nc4scc(-c5ccc(OC)cc5)n4n3)c2C1
InChIInChI=1S/C26H24N6O2S/c1-3-31-13-12-21-19(14-31)23(18-6-4-5-7-20(18)27-21)24(33)28-25-29-26-32(30-25)22(15-35-26)16-8-10-17(34-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,28,30,33)
InChIKeyWYWTUGUPFGAWCS-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.64
Rot. Bonds5

About 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 108729096) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID108729096
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3nc4scc(-c5ccc(OC)cc5)n4n3)c2C1
InChIInChI=1S/C26H24N6O2S/c1-3-31-13-12-21-19(14-31)23(18-6-4-5-7-20(18)27-21)24(33)28-25-29-26-32(30-25)22(15-35-26)16-8-10-17(34-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,28,30,33)
InChIKeyWYWTUGUPFGAWCS-UHFFFAOYSA-N
XLogP4.64
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
2-ethyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804890
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792819
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
2-ethyl-N-(2-phenylsulfanylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792762
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
methyl 3-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-2-hydroxybenzoate
CID 108745839
N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792860
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxo-4-phenylbutanamide
CID 108729091

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 108729096) is 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)Nc3nc4scc(-c5ccc(OC)cc5)n4n3)c2C1.
What is the InChIKey of 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is WYWTUGUPFGAWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-3-31-13-12-21-19(14-31)23(18-6-4-5-7-20(18)27-21)24(33)28-25-29-26-32(30-25)22(15-35-26)16-8-10-17(34-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,28,30,33).
What are the key properties of 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 484.59 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 108729096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).