ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate

C14H12N2O2S — CID 90023168

IUPACethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C14H12N2O2S/c1-2-18-13(17)11-8-16-9-12(19-14(16)15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyULXAPJHUPMNLNM-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.24
Rot. Bonds3

About ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate

ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 90023168) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID90023168
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Nameethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C14H12N2O2S/c1-2-18-13(17)11-8-16-9-12(19-14(16)15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyULXAPJHUPMNLNM-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-trimethylsilylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 125474023
ethyl 2-(2-aminophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylate;ethyl 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 158085251
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
CID 70300240
CID 70300240
ethyl 1-[2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperidine-4-carboxylate
CID 134799350
ethyl 6-[2-(butylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 58207910
2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
[(2S)-octan-2-yl] 2-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 139762319
N-[(3-chlorophenyl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799600
diethyl 4-[5-[4-[5-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]thiophen-2-yl]phenyl]thiophen-2-yl]pyridine-2,6-dicarboxylate
CID 102149888
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate (CID 90023168) is ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate is CCOC(=O)c1cn2cc(-c3ccccc3)sc2n1.
What is the InChIKey of ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is ULXAPJHUPMNLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-18-13(17)11-8-16-9-12(19-14(16)15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 90023168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).