N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide

C24H18N4O2S — CID 46927508

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc5ccccc45)nc3)sc2c1
InChIInChI=1S/C24H18N4O2S/c1-30-16-7-9-21-22(13-16)31-24(27-21)28-23(29)12-15-6-8-20(26-14-15)18-10-11-25-19-5-3-2-4-17(18)19/h2-11,13-14H,12H2,1H3,(H,27,28,29)
InChIKeyYEJGKCHMYXZDAP-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.10
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide (PubChem CID 46927508) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide
PubChem CID46927508
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc5ccccc45)nc3)sc2c1
InChIInChI=1S/C24H18N4O2S/c1-30-16-7-9-21-22(13-16)31-24(27-21)28-23(29)12-15-6-8-20(26-14-15)18-10-11-25-19-5-3-2-4-17(18)19/h2-11,13-14H,12H2,1H3,(H,27,28,29)
InChIKeyYEJGKCHMYXZDAP-UHFFFAOYSA-N
XLogP5.10
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide 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

3-(3-Fluoro-4-{[2-(pyrimidin-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901716
US10251893, Cpd 6
CID 46926811
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971
n-(6-{[6,7-Bis(methyloxy)quinolin-4-yl]oxy}-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 11305951
N-(benzo[d]thiazol-2-yl)-2-((6,7-dimethoxyquinolin-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960670
N-(6-(2-(3-Methoxyphenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182868
N-(6-methoxybenzo[d]thiazol-2-yl)-2-(4-(pyridin-4-yl)phenyl)acetamide
CID 46927440
US10251893, Cpd 62
CID 58447774
N-(6-methoxybenzo[d]thiazol-2-yl)-4-nicotinoylbenzamide
CID 117940931
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridine-2-carbonyl)benzamide
CID 117941010

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide (CID 46927508) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc5ccccc45)nc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide?
The InChIKey is YEJGKCHMYXZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-30-16-7-9-21-22(13-16)31-24(27-21)28-23(29)12-15-6-8-20(26-14-15)18-10-11-25-19-5-3-2-4-17(18)19/h2-11,13-14H,12H2,1H3,(H,27,28,29).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide has a molecular weight of 426.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-quinolin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 46927508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).