[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C24H18N4O5S — CID 23916050

IUPAC[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCc1csc(NC(=O)C(C)OC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)n1
InChIInChI=1S/C24H18N4O5S/c1-13-12-34-24(25-13)28-22(29)14(2)33-23(30)15-7-8-16-17(11-15)27-21(19-6-4-10-32-19)20(26-16)18-5-3-9-31-18/h3-12,14H,1-2H3,(H,25,28,29)
InChIKeySIANKZIWFZLNTJ-UHFFFAOYSA-N
MW474.50 g/mol
LogP5.10
Rot. Bonds6

About [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23916050) has the molecular formula C24H18N4O5S and a molecular weight of 474.50 g/mol. Its IUPAC name is [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
PubChem CID23916050
Molecular FormulaC24H18N4O5S
Molecular Weight474.50 g/mol
Exact Mass474.10
IUPAC Name[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCc1csc(NC(=O)C(C)OC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)n1
InChIInChI=1S/C24H18N4O5S/c1-13-12-34-24(25-13)28-22(29)14(2)33-23(30)15-7-8-16-17(11-15)27-21(19-6-4-10-32-19)20(26-16)18-5-3-9-31-18/h3-12,14H,1-2H3,(H,25,28,29)
InChIKeySIANKZIWFZLNTJ-UHFFFAOYSA-N
XLogP5.10
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 21232766
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23860248
[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23972149
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943977
[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23803071
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23915961
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23972068
[1-(2-methylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391717
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959161
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744687
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23916050) is [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is Cc1csc(NC(=O)C(C)OC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)n1.
What is the InChIKey of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The InChIKey is SIANKZIWFZLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5S/c1-13-12-34-24(25-13)28-22(29)14(2)33-23(30)15-7-8-16-17(11-15)27-21(19-6-4-10-32-19)20(26-16)18-5-3-9-31-18/h3-12,14H,1-2H3,(H,25,28,29).
What are the key properties of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 474.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23916050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).