ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate

C12H9N3O3S2 — CID 102324722

IUPACethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3cccs3)c(N=O)n12
InChIInChI=1S/C12H9N3O3S2/c1-2-18-11(16)7-6-20-12-13-9(8-4-3-5-19-8)10(14-17)15(7)12/h3-6H,2H2,1H3
InChIKeyPLCCNHHGEVZRAB-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.70
Rot. Bonds4

About ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate

ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 102324722) has the molecular formula C12H9N3O3S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID102324722
Molecular FormulaC12H9N3O3S2
Molecular Weight307.36 g/mol
Exact Mass307.01
IUPAC Nameethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3cccs3)c(N=O)n12
InChIInChI=1S/C12H9N3O3S2/c1-2-18-11(16)7-6-20-12-13-9(8-4-3-5-19-8)10(14-17)15(7)12/h3-6H,2H2,1H3
InChIKeyPLCCNHHGEVZRAB-UHFFFAOYSA-N
XLogP3.70
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
ethyl 4-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperazine-1-carboxylate
CID 42271077
diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate
CID 44556988
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657

Frequently Asked Questions

What is the IUPAC name of ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 102324722) is ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1csc2nc(-c3cccs3)c(N=O)n12.
What is the InChIKey of ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is PLCCNHHGEVZRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S2/c1-2-18-11(16)7-6-20-12-13-9(8-4-3-5-19-8)10(14-17)15(7)12/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate?
ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 307.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 102324722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).