N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide

C22H19N5O2S — CID 8023461

IUPACN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1
InChIInChI=1S/C22H19N5O2S/c1-14(28)23-11-10-15-6-8-16(9-7-15)20-13-30-22(26-20)27-21(29)19-12-24-17-4-2-3-5-18(17)25-19/h2-9,12-13H,10-11H2,1H3,(H,23,28)(H,26,27,29)
InChIKeyVOGBUDCJGJLNHO-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.68
Rot. Bonds6

About N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide (PubChem CID 8023461) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
PubChem CID8023461
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1
InChIInChI=1S/C22H19N5O2S/c1-14(28)23-11-10-15-6-8-16(9-7-15)20-13-30-22(26-20)27-21(29)19-12-24-17-4-2-3-5-18(17)25-19/h2-9,12-13H,10-11H2,1H3,(H,23,28)(H,26,27,29)
InChIKeyVOGBUDCJGJLNHO-UHFFFAOYSA-N
XLogP3.68
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
CID 18127750
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 16559461

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide (CID 8023461) is N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide is CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide?
The InChIKey is VOGBUDCJGJLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-14(28)23-11-10-15-6-8-16(9-7-15)20-13-30-22(26-20)27-21(29)19-12-24-17-4-2-3-5-18(17)25-19/h2-9,12-13H,10-11H2,1H3,(H,23,28)(H,26,27,29).
What are the key properties of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide?
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 8023461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).