N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide

C17H12N4O2S — CID 110701475

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccc4nccnc34)sc2c1
InChIInChI=1S/C17H12N4O2S/c1-23-10-5-6-12-14(9-10)24-17(20-12)21-16(22)11-3-2-4-13-15(11)19-8-7-18-13/h2-9H,1H3,(H,20,21,22)
InChIKeyTUWXSQKLMRQFPH-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.50
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide (PubChem CID 110701475) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
PubChem CID110701475
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccc4nccnc34)sc2c1
InChIInChI=1S/C17H12N4O2S/c1-23-10-5-6-12-14(9-10)24-17(20-12)21-16(22)11-3-2-4-13-15(11)19-8-7-18-13/h2-9H,1H3,(H,20,21,22)
InChIKeyTUWXSQKLMRQFPH-UHFFFAOYSA-N
XLogP3.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide 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

2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 55436056
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide (CID 110701475) is N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide is COc1ccc2nc(NC(=O)c3cccc4nccnc34)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide?
The InChIKey is TUWXSQKLMRQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-23-10-5-6-12-14(9-10)24-17(20-12)21-16(22)11-3-2-4-13-15(11)19-8-7-18-13/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.50, 3 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)quinoxaline-5-carboxamide is sourced from PubChem (CID 110701475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).