N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide

C16H16N4OS — CID 2477287

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1
InChIInChI=1S/C16H16N4OS/c1-16(2,3)13-9-22-15(19-13)20-14(21)10-4-5-11-12(8-10)18-7-6-17-11/h4-9H,1-3H3,(H,19,20,21)
InChIKeyOIUCYBOEOOSATB-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.64
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 2477287) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID2477287
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1
InChIInChI=1S/C16H16N4OS/c1-16(2,3)13-9-22-15(19-13)20-14(21)10-4-5-11-12(8-10)18-7-6-17-11/h4-9H,1-3H3,(H,19,20,21)
InChIKeyOIUCYBOEOOSATB-UHFFFAOYSA-N
XLogP3.64
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4133466
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfonylbenzamide
CID 86875148
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 17449915
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chloro-3-nitrobenzamide
CID 867878
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide (CID 2477287) is N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is OIUCYBOEOOSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-16(2,3)13-9-22-15(19-13)20-14(21)10-4-5-11-12(8-10)18-7-6-17-11/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2477287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).