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

C17H12N4OS — CID 8840391

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1cccc2sc(NC(=O)c3ccc4nccnc4c3)nc12
InChIInChI=1S/C17H12N4OS/c1-10-3-2-4-14-15(10)20-17(23-14)21-16(22)11-5-6-12-13(9-11)19-8-7-18-12/h2-9H,1H3,(H,20,21,22)
InChIKeyXKFCRZAFOKJPEX-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.80
Rot. Bonds2

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

N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 8840391) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID8840391
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1cccc2sc(NC(=O)c3ccc4nccnc4c3)nc12
InChIInChI=1S/C17H12N4OS/c1-10-3-2-4-14-15(10)20-17(23-14)21-16(22)11-5-6-12-13(9-11)19-8-7-18-12/h2-9H,1H3,(H,20,21,22)
InChIKeyXKFCRZAFOKJPEX-UHFFFAOYSA-N
XLogP3.80
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
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-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylsulfinylmethyl)benzamide
CID 18138513
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 24594441
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (CID 8840391) is N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is Cc1cccc2sc(NC(=O)c3ccc4nccnc4c3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is XKFCRZAFOKJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-10-3-2-4-14-15(10)20-17(23-14)21-16(22)11-5-6-12-13(9-11)19-8-7-18-12/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 8840391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).