N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

C17H12N4O2S — CID 43952233

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc4nccnc4c3)nc12
InChIInChI=1S/C17H12N4O2S/c1-23-13-3-2-4-14-15(13)20-17(24-14)21-16(22)10-5-6-11-12(9-10)19-8-7-18-11/h2-9H,1H3,(H,20,21,22)
InChIKeyFCSHAVJAANKJKB-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.50
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 43952233) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID43952233
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc4nccnc4c3)nc12
InChIInChI=1S/C17H12N4O2S/c1-23-13-3-2-4-14-15(13)20-17(24-14)21-16(22)10-5-6-11-12(9-10)19-8-7-18-11/h2-9H,1H3,(H,20,21,22)
InChIKeyFCSHAVJAANKJKB-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

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24586156
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (CID 43952233) is N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is COc1cccc2sc(NC(=O)c3ccc4nccnc4c3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is FCSHAVJAANKJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-23-13-3-2-4-14-15(13)20-17(24-14)21-16(22)10-5-6-11-12(9-10)19-8-7-18-11/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-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-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 43952233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).