[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate

C18H12N4O3S2 — CID 23744438

IUPAC[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2nccnc12)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C18H12N4O3S2/c23-15(22-18-21-13(10-27-18)14-5-2-8-26-14)9-25-17(24)11-3-1-4-12-16(11)20-7-6-19-12/h1-8,10H,9H2,(H,21,22,23)
InChIKeyMSNNYJSIRTZDMQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.61
Rot. Bonds5

About [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate

[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate (PubChem CID 23744438) has the molecular formula C18H12N4O3S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate
PubChem CID23744438
Molecular FormulaC18H12N4O3S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC Name[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2nccnc12)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C18H12N4O3S2/c23-15(22-18-21-13(10-27-18)14-5-2-8-26-14)9-25-17(24)11-3-1-4-12-16(11)20-7-6-19-12/h1-8,10H,9H2,(H,21,22,23)
InChIKeyMSNNYJSIRTZDMQ-UHFFFAOYSA-N
XLogP3.61
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate
CID 21232748
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23940632
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971613
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2404132
[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate
CID 23888158
[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23859885
[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23971636
2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108742123
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
2-(2-methoxy-4-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29297483

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate (CID 23744438) is [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate is O=C(COC(=O)c1cccc2nccnc12)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate?
The InChIKey is MSNNYJSIRTZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S2/c23-15(22-18-21-13(10-27-18)14-5-2-8-26-14)9-25-17(24)11-3-1-4-12-16(11)20-7-6-19-12/h1-8,10H,9H2,(H,21,22,23).
What are the key properties of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate?
[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23744438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).