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

C14H12N2O2S — CID 36995520

IUPACethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C14H12N2O2S/c1-2-18-13(17)12-9-16-8-11(15-14(16)19-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyYPTBLSBXRKRCQN-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.24
Rot. Bonds3

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

ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 36995520) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID36995520
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Nameethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C14H12N2O2S/c1-2-18-13(17)12-9-16-8-11(15-14(16)19-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyYPTBLSBXRKRCQN-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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 36995520) is ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1cn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is YPTBLSBXRKRCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-18-13(17)12-9-16-8-11(15-14(16)19-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-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 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 36995520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).