N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide

C17H12N4OS2 — CID 3273240

IUPACN-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1sc(NC(=O)c2ccc3nccnc3c2)nc1-c1cccs1
InChIInChI=1S/C17H12N4OS2/c1-10-15(14-3-2-8-23-14)20-17(24-10)21-16(22)11-4-5-12-13(9-11)19-7-6-18-12/h2-9H,1H3,(H,20,21,22)
InChIKeyVJDIOFWFFCXEBO-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.38
Rot. Bonds3

About N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide

N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 3273240) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID3273240
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC NameN-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1sc(NC(=O)c2ccc3nccnc3c2)nc1-c1cccs1
InChIInChI=1S/C17H12N4OS2/c1-10-15(14-3-2-8-23-14)20-17(24-10)21-16(22)11-4-5-12-13(9-11)19-7-6-18-12/h2-9H,1H3,(H,20,21,22)
InChIKeyVJDIOFWFFCXEBO-UHFFFAOYSA-N
XLogP4.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 17449915
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 2477287
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide (CID 3273240) is N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide is Cc1sc(NC(=O)c2ccc3nccnc3c2)nc1-c1cccs1.
What is the InChIKey of N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is VJDIOFWFFCXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c1-10-15(14-3-2-8-23-14)20-17(24-10)21-16(22)11-4-5-12-13(9-11)19-7-6-18-12/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 3273240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).